5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide

C13H16ClN5O — CID 114923229

IUPAC5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC(C)Cn2cccn2)c(Cl)cn1
InChIInChI=1S/C13H16ClN5O/c1-9(8-19-5-3-4-17-19)18-13(20)10-6-12(15-2)16-7-11(10)14/h3-7,9H,8H2,1-2H3,(H,15,16)(H,18,20)
InChIKeyZDHJLMRYWZEATD-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.79
Rot. Bonds5

About 5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide

5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 114923229) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
PubChem CID114923229
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC(C)Cn2cccn2)c(Cl)cn1
InChIInChI=1S/C13H16ClN5O/c1-9(8-19-5-3-4-17-19)18-13(20)10-6-12(15-2)16-7-11(10)14/h3-7,9H,8H2,1-2H3,(H,15,16)(H,18,20)
InChIKeyZDHJLMRYWZEATD-UHFFFAOYSA-N
XLogP1.79
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923823
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CID 114917693
5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 114923191
3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103994641
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 114923860
5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 114923146
1-methyl-4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazole-5-carboxylic acid
CID 19496461
2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459775
3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103891981
4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103829742
2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 107074869

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide (CID 114923229) is 5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide is CNc1cc(C(=O)NC(C)Cn2cccn2)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is ZDHJLMRYWZEATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-9(8-19-5-3-4-17-19)18-13(20)10-6-12(15-2)16-7-11(10)14/h3-7,9H,8H2,1-2H3,(H,15,16)(H,18,20).
What are the key properties of 5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide?
5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 293.76 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114923229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).