5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide

C14H11N3O — CID 81316402

IUPAC5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide
SMILESC#Cc1cccc(NC(=O)c2ccc(N)cn2)c1
InChIInChI=1S/C14H11N3O/c1-2-10-4-3-5-12(8-10)17-14(18)13-7-6-11(15)9-16-13/h1,3-9H,15H2,(H,17,18)
InChIKeyIYWWZAFYFRGCRH-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.90
Rot. Bonds2

About 5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide

5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide (PubChem CID 81316402) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide
PubChem CID81316402
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide
SMILESC#Cc1cccc(NC(=O)c2ccc(N)cn2)c1
InChIInChI=1S/C14H11N3O/c1-2-10-4-3-5-12(8-10)17-14(18)13-7-6-11(15)9-16-13/h1,3-9H,15H2,(H,17,18)
InChIKeyIYWWZAFYFRGCRH-UHFFFAOYSA-N
XLogP1.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.90
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

2,4-diamino-N-(3-ethynylphenyl)benzamide
CID 61117104
2-amino-N-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide
CID 55116246
6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide
CID 62233805
5-amino-N-(3-ethynylphenyl)-2-fluorobenzamide
CID 61118264
5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide
CID 81317410
1-N,3-N,5-N-tris(3-ethynylphenyl)benzene-1,3,5-tricarboxamide
CID 155264054
N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide
CID 63725037
5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide
CID 81317223
N-(3-ethynylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47443678
6-[(3-ethynylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453019
2-chloro-N-(3-ethynylphenyl)-5-fluoropyridine-3-carboxamide
CID 113347095
3-amino-4,5-dichloro-N-(3-ethynylphenyl)benzamide
CID 61117105

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide (CID 81316402) is 5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide is C#Cc1cccc(NC(=O)c2ccc(N)cn2)c1.
What is the InChIKey of 5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide?
The InChIKey is IYWWZAFYFRGCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-2-10-4-3-5-12(8-10)17-14(18)13-7-6-11(15)9-16-13/h1,3-9H,15H2,(H,17,18).
What are the key properties of 5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide?
5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 81316402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).