3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide

C11H13N3O — CID 104742746

IUPAC3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
SMILESC#CCN(CC)C(=O)c1ncccc1N
InChIInChI=1S/C11H13N3O/c1-3-8-14(4-2)11(15)10-9(12)6-5-7-13-10/h1,5-7H,4,8,12H2,2H3
InChIKeyIGMLIXKISFQHFU-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.76
Rot. Bonds3

About 3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide

3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide (PubChem CID 104742746) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
PubChem CID104742746
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
SMILESC#CCN(CC)C(=O)c1ncccc1N
InChIInChI=1S/C11H13N3O/c1-3-8-14(4-2)11(15)10-9(12)6-5-7-13-10/h1,5-7H,4,8,12H2,2H3
InChIKeyIGMLIXKISFQHFU-UHFFFAOYSA-N
XLogP0.76
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide
CID 104742747
3-amino-N-ethyl-N-propylpyridine-2-carboxamide
CID 104741010
N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide
CID 78918007
2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide
CID 103754874
3-amino-N,N-bis(2-hydroxyethyl)pyridine-2-carboxamide
CID 104741768
1-(3-amino-2-pyridinyl)pent-4-yn-1-one
CID 116613875
3-amino-N-butan-2-yl-N-ethylpyridine-2-carboxamide
CID 104741017
3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 104741624
3-amino-N-hydroxy-N-methylpyridine-2-carboxamide
CID 130884472
3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 104741773
2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid
CID 112704117
3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide (CID 104742746) is 3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide is C#CCN(CC)C(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide?
The InChIKey is IGMLIXKISFQHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-8-14(4-2)11(15)10-9(12)6-5-7-13-10/h1,5-7H,4,8,12H2,2H3.
What are the key properties of 3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide?
3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide has a molecular weight of 203.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide is sourced from PubChem (CID 104742746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).