N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide

C14H15N3O — CID 110660927

IUPACN-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCc1ccccn1)c1ccccn1
InChIInChI=1S/C14H15N3O/c18-14(13-8-2-4-10-16-13)17-11-5-7-12-6-1-3-9-15-12/h1-4,6,8-10H,5,7,11H2,(H,17,18)
InChIKeyYITQDHGXBCQCST-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.84
Rot. Bonds5

About N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide

N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide (PubChem CID 110660927) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
PubChem CID110660927
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCc1ccccn1)c1ccccn1
InChIInChI=1S/C14H15N3O/c18-14(13-8-2-4-10-16-13)17-11-5-7-12-6-1-3-9-15-12/h1-4,6,8-10H,5,7,11H2,(H,17,18)
InChIKeyYITQDHGXBCQCST-UHFFFAOYSA-N
XLogP1.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.84
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-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
CID 77088849
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
N-(9-oxononyl)pyridine-2-carboxamide
CID 130335282
N-[2-(2-hydroxyphenyl)ethyl]pyridine-2-carboxamide
CID 110672365
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181
N-[2-(1H-pyrazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110745166
(E)-but-2-enedioic acid;N-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide
CID 155880885
4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide
CID 86781630

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide (CID 110660927) is N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide is O=C(NCCCc1ccccn1)c1ccccn1.
What is the InChIKey of N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide?
The InChIKey is YITQDHGXBCQCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14(13-8-2-4-10-16-13)17-11-5-7-12-6-1-3-9-15-12/h1-4,6,8-10H,5,7,11H2,(H,17,18).
What are the key properties of N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide?
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 110660927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).