(3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide

C13H17ClN4O2 — CID 129359179

IUPAC(3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide
SMILESCc1nccc(NC(=O)N2CCC[C@H](C(N)=O)C2)c1Cl
InChIInChI=1S/C13H17ClN4O2/c1-8-11(14)10(4-5-16-8)17-13(20)18-6-2-3-9(7-18)12(15)19/h4-5,9H,2-3,6-7H2,1H3,(H2,15,19)(H,16,17,20)/t9-/m0/s1
InChIKeyMXGOLSQKTGZCPZ-VIFPVBQESA-N
MW296.76 g/mol
LogP1.77
Rot. Bonds2

About (3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide

(3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide (PubChem CID 129359179) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is (3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide
PubChem CID129359179
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name(3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide
SMILESCc1nccc(NC(=O)N2CCC[C@H](C(N)=O)C2)c1Cl
InChIInChI=1S/C13H17ClN4O2/c1-8-11(14)10(4-5-16-8)17-13(20)18-6-2-3-9(7-18)12(15)19/h4-5,9H,2-3,6-7H2,1H3,(H2,15,19)(H,16,17,20)/t9-/m0/s1
InChIKeyMXGOLSQKTGZCPZ-VIFPVBQESA-N
XLogP1.77
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide 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

(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
1-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]piperidine-1,3-dicarboxamide
CID 72902640
(3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide
CID 95580121
(3S)-1-N-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 172908536
(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide
CID 172675108
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
(3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide
CID 172908594
(3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide
CID 124735992
1-N-(3-chloro-2,6-diethylphenyl)piperidine-1,3-dicarboxamide
CID 126805479
1-(hydrazinecarbonyl)piperidine-3-carboxamide
CID 43164061

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide (CID 129359179) is (3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide is Cc1nccc(NC(=O)N2CCC[C@H](C(N)=O)C2)c1Cl.
What is the InChIKey of (3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide?
The InChIKey is MXGOLSQKTGZCPZ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-8-11(14)10(4-5-16-8)17-13(20)18-6-2-3-9(7-18)12(15)19/h4-5,9H,2-3,6-7H2,1H3,(H2,15,19)(H,16,17,20)/t9-/m0/s1.
What are the key properties of (3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide?
(3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide has a molecular weight of 296.76 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 129359179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).