6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide

C19H22ClFN4O — CID 133438886

IUPAC6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NC2CCN(c3ccc(F)c(Cl)c3)C2)nc1
InChIInChI=1S/C19H22ClFN4O/c1-2-8-22-19(26)13-3-6-18(23-11-13)24-14-7-9-25(12-14)15-4-5-17(21)16(20)10-15/h3-6,10-11,14H,2,7-9,12H2,1H3,(H,22,26)(H,23,24)
InChIKeyGWUDNMNEFCTEPG-UHFFFAOYSA-N
MW376.86 g/mol
LogP3.70
Rot. Bonds6

About 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide

6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide (PubChem CID 133438886) has the molecular formula C19H22ClFN4O and a molecular weight of 376.86 g/mol. Its IUPAC name is 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide
PubChem CID133438886
Molecular FormulaC19H22ClFN4O
Molecular Weight376.86 g/mol
Exact Mass376.15
IUPAC Name6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NC2CCN(c3ccc(F)c(Cl)c3)C2)nc1
InChIInChI=1S/C19H22ClFN4O/c1-2-8-22-19(26)13-3-6-18(23-11-13)24-14-7-9-25(12-14)15-4-5-17(21)16(20)10-15/h3-6,10-11,14H,2,7-9,12H2,1H3,(H,22,26)(H,23,24)
InChIKeyGWUDNMNEFCTEPG-UHFFFAOYSA-N
XLogP3.70
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-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-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide
CID 133411794
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-5-methylpyrimidin-2-amine
CID 133438905
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 86783658
methyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate
CID 133438960
4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one
CID 133438936
6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133357122
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-2-propan-2-ylsulfonylacetamide
CID 131961110
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 166203024
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-nitropyridin-2-amine
CID 133438863
(3R)-1-(3-chloro-4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97340201
1-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-(5-hydroxypentan-2-yl)urea
CID 110012736
1-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 110012582

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide (CID 133438886) is 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1ccc(NC2CCN(c3ccc(F)c(Cl)c3)C2)nc1.
What is the InChIKey of 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide?
The InChIKey is GWUDNMNEFCTEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O/c1-2-8-22-19(26)13-3-6-18(23-11-13)24-14-7-9-25(12-14)15-4-5-17(21)16(20)10-15/h3-6,10-11,14H,2,7-9,12H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide?
6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide has a molecular weight of 376.86 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 133438886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).