6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide

C13H15ClN4O — CID 62239437

IUPAC6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H15ClN4O/c1-9-10(8-16-18-9)4-3-7-15-13(19)11-5-2-6-12(14)17-11/h2,5-6,8H,3-4,7H2,1H3,(H,15,19)(H,16,18)
InChIKeyCJHLNLDFSABRSZ-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.13
Rot. Bonds5

About 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide

6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide (PubChem CID 62239437) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide
PubChem CID62239437
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H15ClN4O/c1-9-10(8-16-18-9)4-3-7-15-13(19)11-5-2-6-12(14)17-11/h2,5-6,8H,3-4,7H2,1H3,(H,15,19)(H,16,18)
InChIKeyCJHLNLDFSABRSZ-UHFFFAOYSA-N
XLogP2.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide
CID 78924905
5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 115532278
6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
CID 64546919
3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62038357
3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62038999
2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040491
5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide
CID 107374698
5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619552
6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107317157
6-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039665
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
CID 62235303
3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide
CID 103403401

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide (CID 62239437) is 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide is Cc1[nH]ncc1CCCNC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide?
The InChIKey is CJHLNLDFSABRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-9-10(8-16-18-9)4-3-7-15-13(19)11-5-2-6-12(14)17-11/h2,5-6,8H,3-4,7H2,1H3,(H,15,19)(H,16,18).
What are the key properties of 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide?
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 62239437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).