N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-6-(2-methylanilino)pyridine-3-carboxamide

C20H24N6O — CID 167512413

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-6-(2-methylanilino)pyridine-3-carboxamide
SMILESCNc1cc(C(=O)NCc2cn(C)nc2C)cnc1Nc1ccccc1C
InChIInChI=1S/C20H24N6O/c1-13-7-5-6-8-17(13)24-19-18(21-3)9-15(10-22-19)20(27)23-11-16-12-26(4)25-14(16)2/h5-10,12,21H,11H2,1-4H3,(H,22,24)(H,23,27)
InChIKeyMINCJUZZIYDCHE-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.15
Rot. Bonds6

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-6-(2-methylanilino)pyridine-3-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-6-(2-methylanilino)pyridine-3-carboxamide (PubChem CID 167512413) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-6-(2-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-6-(2-methylanilino)pyridine-3-carboxamide
PubChem CID167512413
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-6-(2-methylanilino)pyridine-3-carboxamide
SMILESCNc1cc(C(=O)NCc2cn(C)nc2C)cnc1Nc1ccccc1C
InChIInChI=1S/C20H24N6O/c1-13-7-5-6-8-17(13)24-19-18(21-3)9-15(10-22-19)20(27)23-11-16-12-26(4)25-14(16)2/h5-10,12,21H,11H2,1-4H3,(H,22,24)(H,23,27)
InChIKeyMINCJUZZIYDCHE-UHFFFAOYSA-N
XLogP3.15
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 115991703
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 112668767
6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 112671966
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide
CID 115991700
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 115989224
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 115991489
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19288564
5-[(4-fluoro-3,5-dimethylbenzoyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512340
2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 112668170
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 115991509

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-6-(2-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-6-(2-methylanilino)pyridine-3-carboxamide (CID 167512413) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-6-(2-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-6-(2-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-6-(2-methylanilino)pyridine-3-carboxamide is CNc1cc(C(=O)NCc2cn(C)nc2C)cnc1Nc1ccccc1C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-6-(2-methylanilino)pyridine-3-carboxamide?
The InChIKey is MINCJUZZIYDCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13-7-5-6-8-17(13)24-19-18(21-3)9-15(10-22-19)20(27)23-11-16-12-26(4)25-14(16)2/h5-10,12,21H,11H2,1-4H3,(H,22,24)(H,23,27).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-6-(2-methylanilino)pyridine-3-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-6-(2-methylanilino)pyridine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-6-(2-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 167512413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).