N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide

C20H23ClN4O2 — CID 146670643

IUPACN-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NCc3ccc(Cl)cc3)nc2)C1
InChIInChI=1S/C20H23ClN4O2/c1-14(26)24(2)18-9-10-25(13-18)20(27)16-5-8-19(23-12-16)22-11-15-3-6-17(21)7-4-15/h3-8,12,18H,9-11,13H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyQJCAYXIQYOCZFG-SFHVURJKSA-N
MW386.88 g/mol
LogP3.04
Rot. Bonds5

About N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide

N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 146670643) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
PubChem CID146670643
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC NameN-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NCc3ccc(Cl)cc3)nc2)C1
InChIInChI=1S/C20H23ClN4O2/c1-14(26)24(2)18-9-10-25(13-18)20(27)16-5-8-19(23-12-16)22-11-15-3-6-17(21)7-4-15/h3-8,12,18H,9-11,13H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyQJCAYXIQYOCZFG-SFHVURJKSA-N
XLogP3.04
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide 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-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid;N-methyl-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 163429285
N-[(3S)-1-[6-(1H-indazol-4-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 146664648
[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109156918
N-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 146670880
6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid
CID 28740301
methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
CID 146669717
N-methyl-N-[(3S)-1-[6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 162775557
N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide
CID 146637375
N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156954
N-[(3S)-1-[2-[[(1S)-1-(4-chloro-2-fluorophenyl)ethyl]amino]pyrimidine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 170311841
N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-5-chloro-N-methylthiophene-2-carboxamide
CID 146637408
6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 112722784

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide (CID 146670643) is N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide is CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NCc3ccc(Cl)cc3)nc2)C1.
What is the InChIKey of N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is QJCAYXIQYOCZFG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-14(26)24(2)18-9-10-25(13-18)20(27)16-5-8-19(23-12-16)22-11-15-3-6-17(21)7-4-15/h3-8,12,18H,9-11,13H2,1-2H3,(H,22,23)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 386.88 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 146670643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).