5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide

C15H13N3O — CID 62960476

IUPAC5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide
SMILESNCC#Cc1ccc(C(=O)Nc2ccccc2)nc1
InChIInChI=1S/C15H13N3O/c16-10-4-5-12-8-9-14(17-11-12)15(19)18-13-6-2-1-3-7-13/h1-3,6-9,11H,10,16H2,(H,18,19)
InChIKeyDSFSEWIMHPJGKU-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.64
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide (PubChem CID 62960476) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide
PubChem CID62960476
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide
SMILESNCC#Cc1ccc(C(=O)Nc2ccccc2)nc1
InChIInChI=1S/C15H13N3O/c16-10-4-5-12-8-9-14(17-11-12)15(19)18-13-6-2-1-3-7-13/h1-3,6-9,11H,10,16H2,(H,18,19)
InChIKeyDSFSEWIMHPJGKU-UHFFFAOYSA-N
XLogP1.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960751
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 62958354
5-(3-aminoprop-1-ynyl)-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide
CID 79241057
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179
5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 62959215
5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 62958879
5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 62952492
5-(3-aminoprop-1-ynyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 62958356
5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)pyridine-2-carboxamide
CID 62952662
5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
CID 62960645
N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958260
5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 62954011

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide (CID 62960476) is 5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide is NCC#Cc1ccc(C(=O)Nc2ccccc2)nc1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide?
The InChIKey is DSFSEWIMHPJGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-10-4-5-12-8-9-14(17-11-12)15(19)18-13-6-2-1-3-7-13/h1-3,6-9,11H,10,16H2,(H,18,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 62960476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).