3-amino-6-(ethylamino)-5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide

C18H23N5O2 — CID 171820315

IUPAC3-amino-6-(ethylamino)-5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide
SMILES[H]/N=C/c1c(NCC)nc(C(N)=O)c(N)c1-c1c(C)ccc(OC)c1C
InChIInChI=1S/C18H23N5O2/c1-5-22-18-11(8-19)14(15(20)16(23-18)17(21)24)13-9(2)6-7-12(25-4)10(13)3/h6-8,19H,5,20H2,1-4H3,(H2,21,24)(H,22,23)/b19-8+
InChIKeyMLRPHQABABLGKV-UFWORHAWSA-N
MW341.42 g/mol
LogP2.48
Rot. Bonds6

About 3-amino-6-(ethylamino)-5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide

3-amino-6-(ethylamino)-5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 171820315) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-amino-6-(ethylamino)-5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(ethylamino)-5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide
PubChem CID171820315
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-amino-6-(ethylamino)-5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide
SMILES[H]/N=C/c1c(NCC)nc(C(N)=O)c(N)c1-c1c(C)ccc(OC)c1C
InChIInChI=1S/C18H23N5O2/c1-5-22-18-11(8-19)14(15(20)16(23-18)17(21)24)13-9(2)6-7-12(25-4)10(13)3/h6-8,19H,5,20H2,1-4H3,(H2,21,24)(H,22,23)/b19-8+
InChIKeyMLRPHQABABLGKV-UFWORHAWSA-N
XLogP2.48
TPSA127.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 171820164
5-amino-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide
CID 171819848
4-methanimidoyl-3-(3-methoxy-2,6-dimethylphenyl)-5-(methylamino)benzamide
CID 171819874
3-amino-6-(furan-2-yl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide
CID 170346663
6-(ethylamino)-5-methoxypyridine-3-carboxamide
CID 176992508
6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide
CID 171820267
7-amino-8-(3-methoxy-2,6-dimethylphenyl)-3-(trifluoromethyl)quinoxaline-6-carboxamide
CID 171645325
5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide
CID 171820049
4-amino-5-diazenyl-3-(3-methoxy-2,6-dimethylphenyl)-2-[(4-methoxyphenyl)methylamino]benzonitrile
CID 171820287
3-cyano-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 171820047
ethyl 3-amino-6-ethenyl-4-(3-methoxy-2-methylphenyl)-5-(methylideneamino)pyridine-2-carboxylate
CID 171645244
6-amino-2-cyclopropyl-7-(3-methoxy-2,6-dimethylphenyl)-3-methylpyrrolo[1,2-b]pyridazine-5-carboxamide
CID 171525257

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(ethylamino)-5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(ethylamino)-5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide (CID 171820315) is 3-amino-6-(ethylamino)-5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(ethylamino)-5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(ethylamino)-5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide is [H]/N=C/c1c(NCC)nc(C(N)=O)c(N)c1-c1c(C)ccc(OC)c1C.
What is the InChIKey of 3-amino-6-(ethylamino)-5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is MLRPHQABABLGKV-UFWORHAWSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-5-22-18-11(8-19)14(15(20)16(23-18)17(21)24)13-9(2)6-7-12(25-4)10(13)3/h6-8,19H,5,20H2,1-4H3,(H2,21,24)(H,22,23)/b19-8+.
What are the key properties of 3-amino-6-(ethylamino)-5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide?
3-amino-6-(ethylamino)-5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(ethylamino)-5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 171820315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).