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

C12H15N3O — CID 104742747

IUPAC3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide
SMILESC#CCN(CCC)C(=O)c1ncccc1N
InChIInChI=1S/C12H15N3O/c1-3-8-15(9-4-2)12(16)11-10(13)6-5-7-14-11/h1,5-7H,4,8-9,13H2,2H3
InChIKeyNZOPWDQBGULOKG-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.15
Rot. Bonds4

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

3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide (PubChem CID 104742747) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide
PubChem CID104742747
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide
SMILESC#CCN(CCC)C(=O)c1ncccc1N
InChIInChI=1S/C12H15N3O/c1-3-8-15(9-4-2)12(16)11-10(13)6-5-7-14-11/h1,5-7H,4,8-9,13H2,2H3
InChIKeyNZOPWDQBGULOKG-UHFFFAOYSA-N
XLogP1.15
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 104742746
3-amino-N-ethyl-N-propylpyridine-2-carboxamide
CID 104741010
2-bromo-N-propyl-N-prop-2-ynylpyridine-3-carboxamide
CID 103754870
3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 104741624
3-amino-N,N-bis(2-hydroxyethyl)pyridine-2-carboxamide
CID 104741768
3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 104741773
N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide
CID 104577691
N-[(2-aminophenyl)methyl]-3-bromo-N-propylpyridine-2-carboxamide
CID 107516856
2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 78970596
3-amino-N-hydroxy-N-methylpyridine-2-carboxamide
CID 130884472
N-propyl-N-prop-2-ynyl-1H-1,2,4-triazole-5-carboxamide
CID 115283265
3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide
CID 113447633

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide?
The IUPAC name of 3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide (CID 104742747) is 3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide is C#CCN(CCC)C(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide?
The InChIKey is NZOPWDQBGULOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-8-15(9-4-2)12(16)11-10(13)6-5-7-14-11/h1,5-7H,4,8-9,13H2,2H3.
What are the key properties of 3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide?
3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide is sourced from PubChem (CID 104742747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).