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

C13H16ClN5O — CID 115991703

IUPAC5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NCc2cn(C)nc2C)cc1Cl
InChIInChI=1S/C13H16ClN5O/c1-8-10(7-19(3)18-8)6-17-13(20)9-4-11(14)12(15-2)16-5-9/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,20)
InChIKeyWUDCIWFCUNSVFH-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.75
Rot. Bonds4

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

5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide (PubChem CID 115991703) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
PubChem CID115991703
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NCc2cn(C)nc2C)cc1Cl
InChIInChI=1S/C13H16ClN5O/c1-8-10(7-19(3)18-8)6-17-13(20)9-4-11(14)12(15-2)16-5-9/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,20)
InChIKeyWUDCIWFCUNSVFH-UHFFFAOYSA-N
XLogP1.75
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 112668767
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512413
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide
CID 115991700
6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 112671966
5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 115888256
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62531418
5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62167616
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 115991509
5-chloro-N-[(4-methoxyphenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62172418
2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
CID 19533950
5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
CID 103464504
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
CID 115991433

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide (CID 115991703) is 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide is CNc1ncc(C(=O)NCc2cn(C)nc2C)cc1Cl.
What is the InChIKey of 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is WUDCIWFCUNSVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-8-10(7-19(3)18-8)6-17-13(20)9-4-11(14)12(15-2)16-5-9/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,20).
What are the key properties of 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide?
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 293.76 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 115991703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).