6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide

C20H25FN4O — CID 133411794

IUPAC6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NC2CCCN(c3ccccc3F)C2)nc1
InChIInChI=1S/C20H25FN4O/c1-2-11-22-20(26)15-9-10-19(23-13-15)24-16-6-5-12-25(14-16)18-8-4-3-7-17(18)21/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3,(H,22,26)(H,23,24)
InChIKeyZRUWMUGHDJXCGH-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.44
Rot. Bonds6

About 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide

6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide (PubChem CID 133411794) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide
PubChem CID133411794
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NC2CCCN(c3ccccc3F)C2)nc1
InChIInChI=1S/C20H25FN4O/c1-2-11-22-20(26)15-9-10-19(23-13-15)24-16-6-5-12-25(14-16)18-8-4-3-7-17(18)21/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3,(H,22,26)(H,23,24)
InChIKeyZRUWMUGHDJXCGH-UHFFFAOYSA-N
XLogP3.44
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-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

6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide
CID 133438886
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 133411893
[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109160477
N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
CID 71931528
5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide
CID 133411832
N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine
CID 133411829
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide
CID 109262108
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109152902
N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109249582
N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62166042
6-[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133325717
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide
CID 133411822

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide (CID 133411794) is 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1ccc(NC2CCCN(c3ccccc3F)C2)nc1.
What is the InChIKey of 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide?
The InChIKey is ZRUWMUGHDJXCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-2-11-22-20(26)15-9-10-19(23-13-15)24-16-6-5-12-25(14-16)18-8-4-3-7-17(18)21/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide?
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 133411794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).