5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide

C15H14N4O — CID 62958879

IUPAC5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(C#CCN)cn2)n1
InChIInChI=1S/C15H14N4O/c1-11-4-2-6-14(18-11)19-15(20)13-8-7-12(10-17-13)5-3-9-16/h2,4,6-8,10H,9,16H2,1H3,(H,18,19,20)
InChIKeyTVZRGQOFFVDVNV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.35
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 62958879) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
PubChem CID62958879
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(C#CCN)cn2)n1
InChIInChI=1S/C15H14N4O/c1-11-4-2-6-14(18-11)19-15(20)13-8-7-12(10-17-13)5-3-9-16/h2,4,6-8,10H,9,16H2,1H3,(H,18,19,20)
InChIKeyTVZRGQOFFVDVNV-UHFFFAOYSA-N
XLogP1.35
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.35
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

5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960476
5-(3-aminoprop-1-ynyl)-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide
CID 79241057
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 62958354
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179
5-(3-aminoprop-1-ynyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 62954011
5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 62959215
5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 62960498
5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 62952492
5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63961406
2-methyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 47445423
5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 63241235
5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
CID 62960645

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide (CID 62958879) is 5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide is Cc1cccc(NC(=O)c2ccc(C#CCN)cn2)n1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is TVZRGQOFFVDVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11-4-2-6-14(18-11)19-15(20)13-8-7-12(10-17-13)5-3-9-16/h2,4,6-8,10H,9,16H2,1H3,(H,18,19,20).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 62958879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).