N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide

C20H23ClN4O2 — CID 45231575

IUPACN-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)N1CCCC(CNC(=O)c2cccnc2)C1
InChIInChI=1S/C20H23ClN4O2/c1-14-17(21)7-2-8-18(14)24-20(27)25-10-4-5-15(13-25)11-23-19(26)16-6-3-9-22-12-16/h2-3,6-9,12,15H,4-5,10-11,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyISHFGMDGRXESTB-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.72
Rot. Bonds4

About N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide

N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 45231575) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID45231575
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC NameN-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)N1CCCC(CNC(=O)c2cccnc2)C1
InChIInChI=1S/C20H23ClN4O2/c1-14-17(21)7-2-8-18(14)24-20(27)25-10-4-5-15(13-25)11-23-19(26)16-6-3-9-22-12-16/h2-3,6-9,12,15H,4-5,10-11,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyISHFGMDGRXESTB-UHFFFAOYSA-N
XLogP3.72
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-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

3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 24790774
N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride
CID 110756419
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840487
N-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 72837742
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 42558040
N-(3-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99591307
ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51944275
tert-butyl N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 51131983
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979
4-(azepan-1-ylmethyl)-N-(3-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 20907587
N-[[(5R)-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]pyridine-3-carboxamide
CID 129323478

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide (CID 45231575) is N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)N1CCCC(CNC(=O)c2cccnc2)C1.
What is the InChIKey of N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is ISHFGMDGRXESTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-14-17(21)7-2-8-18(14)24-20(27)25-10-4-5-15(13-25)11-23-19(26)16-6-3-9-22-12-16/h2-3,6-9,12,15H,4-5,10-11,13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 45231575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).