6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide

C21H24N4O — CID 133316628

IUPAC6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NC(CN2CCCC2)c2ccccc2)nc1
InChIInChI=1S/C21H24N4O/c1-2-12-22-21(26)18-10-11-20(23-15-18)24-19(16-25-13-6-7-14-25)17-8-4-3-5-9-17/h1,3-5,8-11,15,19H,6-7,12-14,16H2,(H,22,26)(H,23,24)
InChIKeyRCGXEIWOIASCAP-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.69
Rot. Bonds7

About 6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide

6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide (PubChem CID 133316628) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide
PubChem CID133316628
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NC(CN2CCCC2)c2ccccc2)nc1
InChIInChI=1S/C21H24N4O/c1-2-12-22-21(26)18-10-11-20(23-15-18)24-19(16-25-13-6-7-14-25)17-8-4-3-5-9-17/h1,3-5,8-11,15,19H,6-7,12-14,16H2,(H,22,26)(H,23,24)
InChIKeyRCGXEIWOIASCAP-UHFFFAOYSA-N
XLogP2.69
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-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

N-ethyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxamide
CID 133316637
N-methyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-sulfonamide
CID 133316598
(2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid
CID 122049964
6-[[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 99828598
6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133477137
N-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide
CID 133327135
6-hydrazinyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 62990482
N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
CID 71931528
N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076
6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide
CID 133362088
5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide
CID 95595921
N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764093

Frequently Asked Questions

What is the IUPAC name of 6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of 6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide (CID 133316628) is 6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for 6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide is C#CCNC(=O)c1ccc(NC(CN2CCCC2)c2ccccc2)nc1.
What is the InChIKey of 6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is RCGXEIWOIASCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-2-12-22-21(26)18-10-11-20(23-15-18)24-19(16-25-13-6-7-14-25)17-8-4-3-5-9-17/h1,3-5,8-11,15,19H,6-7,12-14,16H2,(H,22,26)(H,23,24).
What are the key properties of 6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide?
6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 133316628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).