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

C15H14N4O — CID 107523796

IUPAC3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ncccc2C#CCN)nc1
InChIInChI=1S/C15H14N4O/c1-11-6-7-13(18-10-11)19-15(20)14-12(4-2-8-16)5-3-9-17-14/h3,5-7,9-10H,8,16H2,1H3,(H,18,19,20)
InChIKeyXEAOSTQBZFDZFK-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.35
Rot. Bonds2

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

3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 107523796) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
PubChem CID107523796
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ncccc2C#CCN)nc1
InChIInChI=1S/C15H14N4O/c1-11-6-7-13(18-10-11)19-15(20)14-12(4-2-8-16)5-3-9-17-14/h3,5-7,9-10H,8,16H2,1H3,(H,18,19,20)
InChIKeyXEAOSTQBZFDZFK-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

3-(3-aminoprop-1-ynyl)-N-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide
CID 107523549
3-(3-aminoprop-1-ynyl)-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide
CID 107523480
3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)benzamide
CID 60821779
3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 107523760
3-(3-aminoprop-1-ynyl)-N-(3,5-dichlorophenyl)pyridine-2-carboxamide
CID 107523498
3-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide
CID 107595336
ethyl 2-[[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]amino]propanoate
CID 107524020
3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide
CID 107523440
methyl 3-[[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]amino]propanoate
CID 107523903
3-(3-aminoprop-1-ynyl)-N-(3,3-dimethylbutan-2-yl)pyridine-2-carboxamide
CID 107524757
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 107524221
3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107524648

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide (CID 107523796) is 3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ncccc2C#CCN)nc1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is XEAOSTQBZFDZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11-6-7-13(18-10-11)19-15(20)14-12(4-2-8-16)5-3-9-17-14/h3,5-7,9-10H,8,16H2,1H3,(H,18,19,20).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(5-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 3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 107523796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).