3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide

C12H15N3O — CID 66483862

IUPAC3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide
SMILESCCCNC(=O)c1ccncc1C#CCN
InChIInChI=1S/C12H15N3O/c1-2-7-15-12(16)11-5-8-14-9-10(11)4-3-6-13/h5,8-9H,2,6-7,13H2,1H3,(H,15,16)
InChIKeyFIBPITZPTAUGFV-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.53
Rot. Bonds3

About 3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide

3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide (PubChem CID 66483862) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide
PubChem CID66483862
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide
SMILESCCCNC(=O)c1ccncc1C#CCN
InChIInChI=1S/C12H15N3O/c1-2-7-15-12(16)11-5-8-14-9-10(11)4-3-6-13/h5,8-9H,2,6-7,13H2,1H3,(H,15,16)
InChIKeyFIBPITZPTAUGFV-UHFFFAOYSA-N
XLogP0.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.53
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-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 66481909
3-(3-aminoprop-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66484649
2-[[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]amino]ethyl carbamate
CID 83203212
3-(3-aminoprop-1-ynyl)-N-(2-cyclopropylethyl)pyridine-4-carboxamide
CID 66473056
3-(3-aminoprop-1-ynyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 66484263
3-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 66484279
3-(3-aminoprop-1-ynyl)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 66472455
3-(3-aminoprop-1-ynyl)-N-[(5-ethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 106014577
3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66483281
3-(3-aminoprop-1-ynyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-4-carboxamide
CID 66483865
3-(3-aminoprop-1-ynyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide
CID 106376152
3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482239

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide (CID 66483862) is 3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide is CCCNC(=O)c1ccncc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide?
The InChIKey is FIBPITZPTAUGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-7-15-12(16)11-5-8-14-9-10(11)4-3-6-13/h5,8-9H,2,6-7,13H2,1H3,(H,15,16).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide?
3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 0.53, 3 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-propylpyridine-4-carboxamide is sourced from PubChem (CID 66483862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).