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

C17H20N4O2 — CID 171820164

IUPAC5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide
SMILES[H]/N=C/c1c(-c2c(C)ccc(OC)c2C)cc(C(N)=O)nc1NC
InChIInChI=1S/C17H20N4O2/c1-9-5-6-14(23-4)10(2)15(9)11-7-13(16(19)22)21-17(20-3)12(11)8-18/h5-8,18H,1-4H3,(H2,19,22)(H,20,21)/b18-8+
InChIKeyHJIHUBZRWFANGA-QGMBQPNBSA-N
MW312.37 g/mol
LogP2.51
Rot. Bonds5

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

5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide (PubChem CID 171820164) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide
PubChem CID171820164
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide
SMILES[H]/N=C/c1c(-c2c(C)ccc(OC)c2C)cc(C(N)=O)nc1NC
InChIInChI=1S/C17H20N4O2/c1-9-5-6-14(23-4)10(2)15(9)11-7-13(16(19)22)21-17(20-3)12(11)8-18/h5-8,18H,1-4H3,(H2,19,22)(H,20,21)/b18-8+
InChIKeyHJIHUBZRWFANGA-QGMBQPNBSA-N
XLogP2.51
TPSA101.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methanimidoyl-3-(3-methoxy-2,6-dimethylphenyl)-5-(methylamino)benzamide
CID 171819874
3-amino-6-(ethylamino)-5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide
CID 171820315
3-amino-4-(2,6-dimethyl-3-phenylmethoxyphenyl)-5-methanimidoyl-6-(methylamino)pyridine-2-carboxamide
CID 171819984
3-cyano-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 171820047
3-amino-6-(furan-2-yl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide
CID 170346663
6-amino-4-(3-aminophenyl)-5-methanimidoylpyridine-2-carboxamide
CID 143380571
4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide
CID 171820302
6-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 90105150
6-[4-[4-chloro-2-methanimidoyl-3-(methylamino)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
CID 146539568
2-(2-methoxy-5-methylphenyl)-5,6-dimethylpyridine-3-carboxamide
CID 77083473
6-(2,6-dimethoxyphenyl)-2-methylsulfonylpyrimidine-4-carboxamide
CID 58872697
6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 67546414

Frequently Asked Questions

What is the IUPAC name of 5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of 5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide (CID 171820164) is 5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for 5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for 5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide is [H]/N=C/c1c(-c2c(C)ccc(OC)c2C)cc(C(N)=O)nc1NC.
What is the InChIKey of 5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is HJIHUBZRWFANGA-QGMBQPNBSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-9-5-6-14(23-4)10(2)15(9)11-7-13(16(19)22)21-17(20-3)12(11)8-18/h5-8,18H,1-4H3,(H2,19,22)(H,20,21)/b18-8+.
What are the key properties of 5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide?
5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 171820164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).