4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide

C15H19ClN4O — CID 94732274

IUPAC4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide
SMILESCc1cc(C)n(C[C@@H](C)CNC(=O)c2cc(Cl)ccn2)n1
InChIInChI=1S/C15H19ClN4O/c1-10(9-20-12(3)6-11(2)19-20)8-18-15(21)14-7-13(16)4-5-17-14/h4-7,10H,8-9H2,1-3H3,(H,18,21)/t10-/m0/s1
InChIKeySANHQZTZGMQNCM-JTQLQIEISA-N
MW306.80 g/mol
LogP2.61
Rot. Bonds5

About 4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide

4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide (PubChem CID 94732274) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide
PubChem CID94732274
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide
SMILESCc1cc(C)n(C[C@@H](C)CNC(=O)c2cc(Cl)ccn2)n1
InChIInChI=1S/C15H19ClN4O/c1-10(9-20-12(3)6-11(2)19-20)8-18-15(21)14-7-13(16)4-5-17-14/h4-7,10H,8-9H2,1-3H3,(H,18,21)/t10-/m0/s1
InChIKeySANHQZTZGMQNCM-JTQLQIEISA-N
XLogP2.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 61051288
1-(4-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyrazole-4-carboxamide
CID 55783966
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182049
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182050
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylfuran-3-carboxamide
CID 47042468
1-(3-chlorophenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea
CID 19590515
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,6-dimethylpyridine-3-carboxamide
CID 47057757
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide
CID 94028950
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 94028973
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
CID 94185912
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 94028989
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,4-difluorobenzamide
CID 47042487

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide (CID 94732274) is 4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide is Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cc(Cl)ccn2)n1.
What is the InChIKey of 4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide?
The InChIKey is SANHQZTZGMQNCM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10(9-20-12(3)6-11(2)19-20)8-18-15(21)14-7-13(16)4-5-17-14/h4-7,10H,8-9H2,1-3H3,(H,18,21)/t10-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide?
4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide has a molecular weight of 306.80 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide is sourced from PubChem (CID 94732274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).