N-hexylpyridine-4-carboxamide

C12H18N2O — CID 3423732

IUPACN-hexylpyridine-4-carboxamide
SMILESCCCCCCNC(=O)c1ccncc1
InChIInChI=1S/C12H18N2O/c1-2-3-4-5-8-14-12(15)11-6-9-13-10-7-11/h6-7,9-10H,2-5,8H2,1H3,(H,14,15)
InChIKeyHCRXGFQFUVRJHI-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.39
Rot. Bonds6

About N-hexylpyridine-4-carboxamide

N-hexylpyridine-4-carboxamide (PubChem CID 3423732) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-hexylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-hexylpyridine-4-carboxamide
PubChem CID3423732
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-hexylpyridine-4-carboxamide
SMILESCCCCCCNC(=O)c1ccncc1
InChIInChI=1S/C12H18N2O/c1-2-3-4-5-8-14-12(15)11-6-9-13-10-7-11/h6-7,9-10H,2-5,8H2,1H3,(H,14,15)
InChIKeyHCRXGFQFUVRJHI-UHFFFAOYSA-N
XLogP2.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.39
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-butylpyridine-4-carboxamide
CID 5030535
1-hexyl-3-(pyridine-4-carbonylamino)urea
CID 24975112
1-heptyl-3-(pyridine-4-carbonylamino)urea
CID 86577414
N'-undecylpyridine-4-carbohydrazide
CID 27387
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425
N-octadecylpyridine-3-carboxamide
CID 3547337
CID 131885807
CID 131885807
N-decyl-4-hydroxybenzamide
CID 15277871
N-decyl-4-sulfanylbenzamide
CID 107032455
4-tert-butyl-N-nonylbenzamide
CID 4642451
4-bromo-N-hexadecylbenzamide
CID 54791037

Frequently Asked Questions

What is the IUPAC name of N-hexylpyridine-4-carboxamide?
The IUPAC name of N-hexylpyridine-4-carboxamide (CID 3423732) is N-hexylpyridine-4-carboxamide.
What is the SMILES notation for N-hexylpyridine-4-carboxamide?
The canonical SMILES for N-hexylpyridine-4-carboxamide is CCCCCCNC(=O)c1ccncc1.
What is the InChIKey of N-hexylpyridine-4-carboxamide?
The InChIKey is HCRXGFQFUVRJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-3-4-5-8-14-12(15)11-6-9-13-10-7-11/h6-7,9-10H,2-5,8H2,1H3,(H,14,15).
What are the key properties of N-hexylpyridine-4-carboxamide?
N-hexylpyridine-4-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylpyridine-4-carboxamide is sourced from PubChem (CID 3423732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).