N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide

C14H12N4O — CID 60814077

IUPACN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide
SMILESNCC#Cc1cccc(NC(=O)c2ccccn2)n1
InChIInChI=1S/C14H12N4O/c15-9-4-6-11-5-3-8-13(17-11)18-14(19)12-7-1-2-10-16-12/h1-3,5,7-8,10H,9,15H2,(H,17,18,19)
InChIKeyYPYQZXXIYFCGDF-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.04
Rot. Bonds2

About N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 60814077) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide
PubChem CID60814077
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide
SMILESNCC#Cc1cccc(NC(=O)c2ccccn2)n1
InChIInChI=1S/C14H12N4O/c15-9-4-6-11-5-3-8-13(17-11)18-14(19)12-7-1-2-10-16-12/h1-3,5,7-8,10H,9,15H2,(H,17,18,19)
InChIKeyYPYQZXXIYFCGDF-UHFFFAOYSA-N
XLogP1.04
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide
CID 62874149
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-chloro-2-fluorobenzamide
CID 81267639
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide
CID 60813067
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylsulfanylbenzamide
CID 79214105
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-cyanobenzamide
CID 60814076
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-chloro-2-methylbenzamide
CID 82874779
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-chloro-5-methylbenzamide
CID 81315693
1-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-benzylurea
CID 107654438
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylimidazole-4-carboxamide
CID 103511822
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide
CID 60814416
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-ethylthiophene-2-carboxamide
CID 79975351
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-1-ethylpyrrole-2-carboxamide
CID 60813066

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide (CID 60814077) is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide is NCC#Cc1cccc(NC(=O)c2ccccn2)n1.
What is the InChIKey of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is YPYQZXXIYFCGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-9-4-6-11-5-3-8-13(17-11)18-14(19)12-7-1-2-10-16-12/h1-3,5,7-8,10H,9,15H2,(H,17,18,19).
What are the key properties of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide?
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 60814077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).