4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride

C15H18ClN3O — CID 172619074

IUPAC4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride
SMILESCCCCc1ccnc(C(=O)Nc2ccccn2)c1.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-2-3-6-12-8-10-16-13(11-12)15(19)18-14-7-4-5-9-17-14;/h4-5,7-11H,2-3,6H2,1H3,(H,17,18,19);1H
InChIKeyXAEMCBMRPYNFBH-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.49
Rot. Bonds5

About 4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride

4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride (PubChem CID 172619074) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride
PubChem CID172619074
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride
SMILESCCCCc1ccnc(C(=O)Nc2ccccn2)c1.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-2-3-6-12-8-10-16-13(11-12)15(19)18-14-7-4-5-9-17-14;/h4-5,7-11H,2-3,6H2,1H3,(H,17,18,19);1H
InChIKeyXAEMCBMRPYNFBH-UHFFFAOYSA-N
XLogP3.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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argon;N-[(4-butyl-2-pyridinyl)carbamothioyl]benzamide
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N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
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molecular hydrogen;N-pyridin-2-ylbutanamide
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4-butyl-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]pyridine-2-carboxamide
CID 10270453
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
5-methyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 1247385
ethyl 3-(pyridin-2-ylcarbamoyl)pyrazole-1-carboxylate
CID 11172995
2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
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CID 167799653

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride?
The IUPAC name of 4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride (CID 172619074) is 4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride is CCCCc1ccnc(C(=O)Nc2ccccn2)c1.Cl.
What is the InChIKey of 4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride?
The InChIKey is XAEMCBMRPYNFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.ClH/c1-2-3-6-12-8-10-16-13(11-12)15(19)18-14-7-4-5-9-17-14;/h4-5,7-11H,2-3,6H2,1H3,(H,17,18,19);1H.
What are the key properties of 4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride?
4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 172619074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).