5-amino-N-prop-2-ynylpyridine-2-carboxamide

C9H9N3O — CID 81316148

IUPAC5-amino-N-prop-2-ynylpyridine-2-carboxamide
SMILESC#CCNC(=O)c1ccc(N)cn1
InChIInChI=1S/C9H9N3O/c1-2-5-11-9(13)8-4-3-7(10)6-12-8/h1,3-4,6H,5,10H2,(H,11,13)
InChIKeyAAWDCSWHXRLKIN-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.03
Rot. Bonds2

About 5-amino-N-prop-2-ynylpyridine-2-carboxamide

5-amino-N-prop-2-ynylpyridine-2-carboxamide (PubChem CID 81316148) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-amino-N-prop-2-ynylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-prop-2-ynylpyridine-2-carboxamide
PubChem CID81316148
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name5-amino-N-prop-2-ynylpyridine-2-carboxamide
SMILESC#CCNC(=O)c1ccc(N)cn1
InChIInChI=1S/C9H9N3O/c1-2-5-11-9(13)8-4-3-7(10)6-12-8/h1,3-4,6H,5,10H2,(H,11,13)
InChIKeyAAWDCSWHXRLKIN-UHFFFAOYSA-N
XLogP0.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.03
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

5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide
CID 106425176
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
5-amino-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 81317367
5-amino-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107316260
5-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 81319676
5-amino-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide
CID 81316054
5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 83107440
5-amino-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 81317024
5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide
CID 81316208
5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-2-carboxamide
CID 114132588
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide
CID 81319681
6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide
CID 60770819

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-prop-2-ynylpyridine-2-carboxamide?
The IUPAC name of 5-amino-N-prop-2-ynylpyridine-2-carboxamide (CID 81316148) is 5-amino-N-prop-2-ynylpyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-prop-2-ynylpyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-prop-2-ynylpyridine-2-carboxamide is C#CCNC(=O)c1ccc(N)cn1.
What is the InChIKey of 5-amino-N-prop-2-ynylpyridine-2-carboxamide?
The InChIKey is AAWDCSWHXRLKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-2-5-11-9(13)8-4-3-7(10)6-12-8/h1,3-4,6H,5,10H2,(H,11,13).
What are the key properties of 5-amino-N-prop-2-ynylpyridine-2-carboxamide?
5-amino-N-prop-2-ynylpyridine-2-carboxamide has a molecular weight of 175.19 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-prop-2-ynylpyridine-2-carboxamide is sourced from PubChem (CID 81316148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).