4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide

C13H14ClN5O2 — CID 81228976

IUPAC4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide
SMILESCNC(=O)Cn1cc(NC(=O)c2cnc(C)cc2Cl)cn1
InChIInChI=1S/C13H14ClN5O2/c1-8-3-11(14)10(5-16-8)13(21)18-9-4-17-19(6-9)7-12(20)15-2/h3-6H,7H2,1-2H3,(H,15,20)(H,18,21)
InChIKeyWWHGYXTWZSWBQN-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.24
Rot. Bonds4

About 4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide

4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 81228976) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID81228976
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC Name4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide
SMILESCNC(=O)Cn1cc(NC(=O)c2cnc(C)cc2Cl)cn1
InChIInChI=1S/C13H14ClN5O2/c1-8-3-11(14)10(5-16-8)13(21)18-9-4-17-19(6-9)7-12(20)15-2/h3-6H,7H2,1-2H3,(H,15,20)(H,18,21)
InChIKeyWWHGYXTWZSWBQN-UHFFFAOYSA-N
XLogP1.24
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 61103330
2-chloro-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 134710621
2-bromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 47267940
3,5-dibromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 103908065
2-bromo-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 60932817
4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 106509693
4-chloro-N-(3-chloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81225961
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190
1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide
CID 134697674
4-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-methylpyridine-3-carboxamide
CID 81240834
N-(3-acetamidophenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81228962
4-chloro-6-methyl-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 81225722

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide (CID 81228976) is 4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide is CNC(=O)Cn1cc(NC(=O)c2cnc(C)cc2Cl)cn1.
What is the InChIKey of 4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is WWHGYXTWZSWBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c1-8-3-11(14)10(5-16-8)13(21)18-9-4-17-19(6-9)7-12(20)15-2/h3-6H,7H2,1-2H3,(H,15,20)(H,18,21).
What are the key properties of 4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide?
4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 307.74 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 81228976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).