N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide

C15H17N3O — CID 110661295

IUPACN-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
SMILESO=C(NCCCCc1cccnc1)c1cccnc1
InChIInChI=1S/C15H17N3O/c19-15(14-7-4-9-17-12-14)18-10-2-1-5-13-6-3-8-16-11-13/h3-4,6-9,11-12H,1-2,5,10H2,(H,18,19)
InChIKeyNURCOXMSBQAXSQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.23
Rot. Bonds6

About N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide

N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide (PubChem CID 110661295) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
PubChem CID110661295
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
SMILESO=C(NCCCCc1cccnc1)c1cccnc1
InChIInChI=1S/C15H17N3O/c19-15(14-7-4-9-17-12-14)18-10-2-1-5-13-6-3-8-16-11-13/h3-4,6-9,11-12H,1-2,5,10H2,(H,18,19)
InChIKeyNURCOXMSBQAXSQ-UHFFFAOYSA-N
XLogP2.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide
CID 84509269
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
N-octadecylpyridine-3-carboxamide
CID 3547337
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074
N-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride
CID 18977165
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide (CID 110661295) is N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide is O=C(NCCCCc1cccnc1)c1cccnc1.
What is the InChIKey of N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide?
The InChIKey is NURCOXMSBQAXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15(14-7-4-9-17-12-14)18-10-2-1-5-13-6-3-8-16-11-13/h3-4,6-9,11-12H,1-2,5,10H2,(H,18,19).
What are the key properties of N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide?
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 110661295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).