2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide

C14H18ClN5O — CID 62167493

IUPAC2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2cc(C)nn2C)cc(Cl)n1
InChIInChI=1S/C14H18ClN5O/c1-4-5-16-12-8-10(7-11(15)17-12)14(21)18-13-6-9(2)19-20(13)3/h6-8H,4-5H2,1-3H3,(H,16,17)(H,18,21)
InChIKeyAAJHNRQMNGMCJJ-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.85
Rot. Bonds5

About 2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide

2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide (PubChem CID 62167493) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide
PubChem CID62167493
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2cc(C)nn2C)cc(Cl)n1
InChIInChI=1S/C14H18ClN5O/c1-4-5-16-12-8-10(7-11(15)17-12)14(21)18-13-6-9(2)19-20(13)3/h6-8H,4-5H2,1-3H3,(H,16,17)(H,18,21)
InChIKeyAAJHNRQMNGMCJJ-UHFFFAOYSA-N
XLogP2.85
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide
CID 62171490
N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 62166973
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 62165467
N-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374315
2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 65042532
2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide
CID 107643171
2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide
CID 103094848
3-bromo-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 103826786
2-chloro-N-(2-methylsulfanylethyl)-6-(propylamino)pyridine-4-carboxamide
CID 63963791
4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 10038843
2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide
CID 104765513
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide (CID 62167493) is 2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)Nc2cc(C)nn2C)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide?
The InChIKey is AAJHNRQMNGMCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-4-5-16-12-8-10(7-11(15)17-12)14(21)18-13-6-9(2)19-20(13)3/h6-8H,4-5H2,1-3H3,(H,16,17)(H,18,21).
What are the key properties of 2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide?
2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide has a molecular weight of 307.79 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62167493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).