5-amino-4-(1-methoxyethyl)-2-methylpyridine-3-carbonitrile;5-chloro-2-methoxy-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]urea;methyl thiohypofluorite;phenyl carbonochloridate;phenyl N-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]carbamate

C98H98Cl6FN37O16S — CID 165099240

About 5-amino-4-(1-methoxyethyl)-2-methylpyridine-3-carbonitrile;5-chloro-2-methoxy-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]urea;methyl thiohypofluorite;phenyl carbonochloridate;phenyl N-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]carbamate

5-amino-4-(1-methoxyethyl)-2-methylpyridine-3-carbonitrile;5-chloro-2-methoxy-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]urea;methyl thiohypofluorite;phenyl carbonochloridate;phenyl N-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]carbamate (PubChem CID 165099240) has the molecular formula C98H98Cl6FN37O16S and a molecular weight of 2313.89 g/mol. Its IUPAC name is 5-amino-4-(1-methoxyethyl)-2-methylpyridine-3-carbonitrile;5-chloro-2-methoxy-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]urea;methyl thiohypofluorite;phenyl carbonochloridate;phenyl N-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]carbamate.

Molecular Properties

• Compound Name: 5-amino-4-(1-methoxyethyl)-2-methylpyridine-3-carbonitrile;5-chloro-2-methoxy-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]urea;methyl thiohypofluorite;phenyl carbonochloridate;phenyl N-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]carbamate
• PubChem CID: 165099240
• Molecular Formula: C98H98Cl6FN37O16S
• Molecular Weight: 2313.89 g/mol
• Exact Mass: 2309.58
• IUPAC Name: 5-amino-4-(1-methoxyethyl)-2-methylpyridine-3-carbonitrile;5-chloro-2-methoxy-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]urea;methyl thiohypofluorite;phenyl carbonochloridate;phenyl N-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]carbamate
• SMILES: COC(C)c1c(N)cnc(C)c1C#N.COc1nc(-n2nccn2)c(Cl)cc1N.COc1nc(-n2nccn2)c(Cl)cc1NC(=O)Nc1cnc(C)c(C#N)c1C(C)OC.COc1nc(-n2nccn2)c(Cl)cc1NC(=O)Nc1cnc(C)c(C#N)c1[C@@H](C)OC.COc1nc(-n2nccn2)c(Cl)cc1NC(=O)Nc1cnc(C)c(C#N)c1[C@H](C)OC.COc1nc(-n2nccn2)c(Cl)cc1NC(=O)Oc1ccccc1.CSF.O=C(Cl)Oc1ccccc1
• InChI: InChI=1S/3C19H19ClN8O3.C15H12ClN5O3.C10H13N3O.C8H8ClN5O.C7H5ClO2.CH3FS/c3*1-10-12(8-21)16(11(2)30-3)15(9-22-10)26-19(29)25-14-7-13(20)17(27-18(14)31-4)28-23-5-6-24-28;1-23-14-12(19-15(22)24-10-5-3-2-4-6-10)9-11(16)13(20-14)21-17-7-8-18-21;1-6-8(4-11)10(7(2)14-3)9(12)5-13-6;1-15-8-6(10)4-5(9)7(13-8)14-11-2-3-12-14;8-7(9)10-6-4-2-1-3-5-6;1-3-2/h3*5-7,9,11H,1-4H3,(H2,25,26,29);2-9H,1H3,(H,19,22);5,7H,12H2,1-3H3;2-4H,10H2,1H3;1-5H;1H3/t2*11-;;;;;;/m10....../s1
• InChIKey: YASWZRRRDBTLJL-KPCUFKOXSA-N
• XLogP: 18.80
• TPSA: 687.85 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 47
• Rotatable Bonds: 27
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2313.89
LogP ≤ 5	18.80
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1-methoxyethyl)-2-methylpyridine-3-carbonitrile;5-chloro-2-methoxy-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]urea;methyl thiohypofluorite;phenyl carbonochloridate;phenyl N-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]carbamate?

The IUPAC name of 5-amino-4-(1-methoxyethyl)-2-methylpyridine-3-carbonitrile;5-chloro-2-methoxy-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]urea;methyl thiohypofluorite;phenyl carbonochloridate;phenyl N-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]carbamate (CID 165099240) is 5-amino-4-(1-methoxyethyl)-2-methylpyridine-3-carbonitrile;5-chloro-2-methoxy-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]urea;methyl thiohypofluorite;phenyl carbonochloridate;phenyl N-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]carbamate.

What is the SMILES notation for 5-amino-4-(1-methoxyethyl)-2-methylpyridine-3-carbonitrile;5-chloro-2-methoxy-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]urea;methyl thiohypofluorite;phenyl carbonochloridate;phenyl N-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]carbamate?

The canonical SMILES for 5-amino-4-(1-methoxyethyl)-2-methylpyridine-3-carbonitrile;5-chloro-2-methoxy-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]urea;methyl thiohypofluorite;phenyl carbonochloridate;phenyl N-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]carbamate is COC(C)c1c(N)cnc(C)c1C#N.COc1nc(-n2nccn2)c(Cl)cc1N.COc1nc(-n2nccn2)c(Cl)cc1NC(=O)Nc1cnc(C)c(C#N)c1C(C)OC.COc1nc(-n2nccn2)c(Cl)cc1NC(=O)Nc1cnc(C)c(C#N)c1[C@@H](C)OC.COc1nc(-n2nccn2)c(Cl)cc1NC(=O)Nc1cnc(C)c(C#N)c1[C@H](C)OC.COc1nc(-n2nccn2)c(Cl)cc1NC(=O)Oc1ccccc1.CSF.O=C(Cl)Oc1ccccc1.

What is the InChIKey of 5-amino-4-(1-methoxyethyl)-2-methylpyridine-3-carbonitrile;5-chloro-2-methoxy-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]urea;methyl thiohypofluorite;phenyl carbonochloridate;phenyl N-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]carbamate?

The InChIKey is YASWZRRRDBTLJL-KPCUFKOXSA-N. The full InChI is InChI=1S/3C19H19ClN8O3.C15H12ClN5O3.C10H13N3O.C8H8ClN5O.C7H5ClO2.CH3FS/c3*1-10-12(8-21)16(11(2)30-3)15(9-22-10)26-19(29)25-14-7-13(20)17(27-18(14)31-4)28-23-5-6-24-28;1-23-14-12(19-15(22)24-10-5-3-2-4-6-10)9-11(16)13(20-14)21-17-7-8-18-21;1-6-8(4-11)10(7(2)14-3)9(12)5-13-6;1-15-8-6(10)4-5(9)7(13-8)14-11-2-3-12-14;8-7(9)10-6-4-2-1-3-5-6;1-3-2/h3*5-7,9,11H,1-4H3,(H2,25,26,29);2-9H,1H3,(H,19,22);5,7H,12H2,1-3H3;2-4H,10H2,1H3;1-5H;1H3/t2*11-;;;;;;/m10....../s1.

What are the key properties of 5-amino-4-(1-methoxyethyl)-2-methylpyridine-3-carbonitrile;5-chloro-2-methoxy-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]urea;methyl thiohypofluorite;phenyl carbonochloridate;phenyl N-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]carbamate?

5-amino-4-(1-methoxyethyl)-2-methylpyridine-3-carbonitrile;5-chloro-2-methoxy-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]urea;methyl thiohypofluorite;phenyl carbonochloridate;phenyl N-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]carbamate has a molecular weight of 2313.89 g/mol, XLogP of 18.80, 27 rotatable bonds, 9 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-4-(1-methoxyethyl)-2-methylpyridine-3-carbonitrile;5-chloro-2-methoxy-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea;1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]urea;methyl thiohypofluorite;phenyl carbonochloridate;phenyl N-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 165099240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).