N-butylpyridine-4-carboxamide

C10H14N2O — CID 5030535

IUPACN-butylpyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccncc1
InChIInChI=1S/C10H14N2O/c1-2-3-6-12-10(13)9-4-7-11-8-5-9/h4-5,7-8H,2-3,6H2,1H3,(H,12,13)
InChIKeyIDNGPRYAMMACEI-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.61
Rot. Bonds4

About N-butylpyridine-4-carboxamide

N-butylpyridine-4-carboxamide (PubChem CID 5030535) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N-butylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-butylpyridine-4-carboxamide
PubChem CID5030535
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN-butylpyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccncc1
InChIInChI=1S/C10H14N2O/c1-2-3-6-12-10(13)9-4-7-11-8-5-9/h4-5,7-8H,2-3,6H2,1H3,(H,12,13)
InChIKeyIDNGPRYAMMACEI-UHFFFAOYSA-N
XLogP1.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentylpyridine-4-carboxamide
CID 2307296
N-hexylpyridine-4-carboxamide
CID 3423732
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
1-hexyl-3-(pyridine-4-carbonylamino)urea
CID 24975112
1-heptyl-3-(pyridine-4-carbonylamino)urea
CID 86577414
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425
tert-butyl N-[3-(pyridine-4-carbonylamino)propyl]carbamate
CID 18510355
N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 68891384
N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide
CID 67740105
3-(pyridine-4-carbonylamino)propyl hydrogen carbonate
CID 130453907
N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide
CID 108934864
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242

Frequently Asked Questions

What is the IUPAC name of N-butylpyridine-4-carboxamide?
The IUPAC name of N-butylpyridine-4-carboxamide (CID 5030535) is N-butylpyridine-4-carboxamide.
What is the SMILES notation for N-butylpyridine-4-carboxamide?
The canonical SMILES for N-butylpyridine-4-carboxamide is CCCCNC(=O)c1ccncc1.
What is the InChIKey of N-butylpyridine-4-carboxamide?
The InChIKey is IDNGPRYAMMACEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-3-6-12-10(13)9-4-7-11-8-5-9/h4-5,7-8H,2-3,6H2,1H3,(H,12,13).
What are the key properties of N-butylpyridine-4-carboxamide?
N-butylpyridine-4-carboxamide has a molecular weight of 178.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylpyridine-4-carboxamide is sourced from PubChem (CID 5030535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).