6-chloro-N-[1-(4-cyanobutyl)pyrazol-4-yl]pyridine-2-carboxamide

C14H14ClN5O — CID 5006445

IUPAC6-chloro-N-[1-(4-cyanobutyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESN#CCCCCn1cc(NC(=O)c2cccc(Cl)n2)cn1
InChIInChI=1S/C14H14ClN5O/c15-13-6-4-5-12(19-13)14(21)18-11-9-17-20(10-11)8-3-1-2-7-16/h4-6,9-10H,1-3,8H2,(H,18,21)
InChIKeyBMXADOJYWNQIAN-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.88
Rot. Bonds6

About 6-chloro-N-[1-(4-cyanobutyl)pyrazol-4-yl]pyridine-2-carboxamide

6-chloro-N-[1-(4-cyanobutyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 5006445) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-cyanobutyl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(4-cyanobutyl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID5006445
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name6-chloro-N-[1-(4-cyanobutyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESN#CCCCCn1cc(NC(=O)c2cccc(Cl)n2)cn1
InChIInChI=1S/C14H14ClN5O/c15-13-6-4-5-12(19-13)14(21)18-11-9-17-20(10-11)8-3-1-2-7-16/h4-6,9-10H,1-3,8H2,(H,18,21)
InChIKeyBMXADOJYWNQIAN-UHFFFAOYSA-N
XLogP2.88
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-(4-cyanobutyl)pyrazol-4-yl]thiadiazole-4-carboxamide
CID 3800920
6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide
CID 63284925
dimethyl 3-[4-[(6-chloropyridine-2-carbonyl)amino]pyrazol-1-yl]pentanedioate
CID 3754878
1-[1-(4-cyanobutyl)pyrazol-4-yl]-3-prop-2-enylthiourea
CID 4586656
6-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-2-carboxamide
CID 62234899
N-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 134712672
6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107317157
N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide
CID 62234924
6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
CID 55052347
6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide
CID 62233805
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
CID 62235303
6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 62234186

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4-cyanobutyl)pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-(4-cyanobutyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 5006445) is 6-chloro-N-[1-(4-cyanobutyl)pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(4-cyanobutyl)pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(4-cyanobutyl)pyrazol-4-yl]pyridine-2-carboxamide is N#CCCCCn1cc(NC(=O)c2cccc(Cl)n2)cn1.
What is the InChIKey of 6-chloro-N-[1-(4-cyanobutyl)pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is BMXADOJYWNQIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c15-13-6-4-5-12(19-13)14(21)18-11-9-17-20(10-11)8-3-1-2-7-16/h4-6,9-10H,1-3,8H2,(H,18,21).
What are the key properties of 6-chloro-N-[1-(4-cyanobutyl)pyrazol-4-yl]pyridine-2-carboxamide?
6-chloro-N-[1-(4-cyanobutyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-cyanobutyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 5006445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).