2-chloro-N-(1,3-dimethylpyrazol-4-yl)-6-propan-2-ylpyridine-4-carboxamide

C14H17ClN4O — CID 102804809

IUPAC2-chloro-N-(1,3-dimethylpyrazol-4-yl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C14H17ClN4O/c1-8(2)11-5-10(6-13(15)16-11)14(20)17-12-7-19(4)18-9(12)3/h5-8H,1-4H3,(H,17,20)
InChIKeySEDZUNKXNRMKKS-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.15
Rot. Bonds3

About 2-chloro-N-(1,3-dimethylpyrazol-4-yl)-6-propan-2-ylpyridine-4-carboxamide

2-chloro-N-(1,3-dimethylpyrazol-4-yl)-6-propan-2-ylpyridine-4-carboxamide (PubChem CID 102804809) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-chloro-N-(1,3-dimethylpyrazol-4-yl)-6-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-dimethylpyrazol-4-yl)-6-propan-2-ylpyridine-4-carboxamide
PubChem CID102804809
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name2-chloro-N-(1,3-dimethylpyrazol-4-yl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C14H17ClN4O/c1-8(2)11-5-10(6-13(15)16-11)14(20)17-12-7-19(4)18-9(12)3/h5-8H,1-4H3,(H,17,20)
InChIKeySEDZUNKXNRMKKS-UHFFFAOYSA-N
XLogP3.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide
CID 107856629
6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyrazine-2-carboxamide
CID 106551394
3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide
CID 113251749
3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide
CID 104853786
N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide
CID 113358549
4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 102803289
2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379684
N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide
CID 19346010
2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 114202175
methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate
CID 19346192
methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
CID 113379820
2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379713

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-dimethylpyrazol-4-yl)-6-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(1,3-dimethylpyrazol-4-yl)-6-propan-2-ylpyridine-4-carboxamide (CID 102804809) is 2-chloro-N-(1,3-dimethylpyrazol-4-yl)-6-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1,3-dimethylpyrazol-4-yl)-6-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1,3-dimethylpyrazol-4-yl)-6-propan-2-ylpyridine-4-carboxamide is Cc1nn(C)cc1NC(=O)c1cc(Cl)nc(C(C)C)c1.
What is the InChIKey of 2-chloro-N-(1,3-dimethylpyrazol-4-yl)-6-propan-2-ylpyridine-4-carboxamide?
The InChIKey is SEDZUNKXNRMKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-8(2)11-5-10(6-13(15)16-11)14(20)17-12-7-19(4)18-9(12)3/h5-8H,1-4H3,(H,17,20).
What are the key properties of 2-chloro-N-(1,3-dimethylpyrazol-4-yl)-6-propan-2-ylpyridine-4-carboxamide?
2-chloro-N-(1,3-dimethylpyrazol-4-yl)-6-propan-2-ylpyridine-4-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-dimethylpyrazol-4-yl)-6-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 102804809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).