3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide

C16H14ClN3O — CID 107523760

IUPAC3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ncccc1C#CCN
InChIInChI=1S/C16H14ClN3O/c1-11-10-13(17)6-7-14(11)20-16(21)15-12(4-2-8-18)5-3-9-19-15/h3,5-7,9-10H,8,18H2,1H3,(H,20,21)
InChIKeyPLTNXSFWRQUVOF-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.61
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide (PubChem CID 107523760) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
PubChem CID107523760
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ncccc1C#CCN
InChIInChI=1S/C16H14ClN3O/c1-11-10-13(17)6-7-14(11)20-16(21)15-12(4-2-8-18)5-3-9-19-15/h3,5-7,9-10H,8,18H2,1H3,(H,20,21)
InChIKeyPLTNXSFWRQUVOF-UHFFFAOYSA-N
XLogP2.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.61
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

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
3-(3-aminoprop-1-ynyl)-N-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide
CID 107523549
N-(4-fluoro-3-methylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107522279
3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 107523796
5-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 79977293
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide
CID 60813372
N-(3-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107521373
3-(3-aminoprop-1-ynyl)-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide
CID 107523480
3-(4-hydroxybut-1-ynyl)-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 107522429
2-(3-aminoprop-1-ynyl)-N-(2,4-dichlorophenyl)benzamide
CID 60820786
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-chlorobenzamide
CID 60813543

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide (CID 107523760) is 3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1ncccc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is PLTNXSFWRQUVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11-10-13(17)6-7-14(11)20-16(21)15-12(4-2-8-18)5-3-9-19-15/h3,5-7,9-10H,8,18H2,1H3,(H,20,21).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107523760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).