N-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

C20H24ClN3O2 — CID 109152600

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C20H24ClN3O2/c1-13-6-8-24(9-7-13)19-5-4-15(12-22-19)20(25)23-17-10-14(2)16(21)11-18(17)26-3/h4-5,10-13H,6-9H2,1-3H3,(H,23,25)
InChIKeyMTARYHXYCJICAR-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.54
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 109152600) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
PubChem CID109152600
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C20H24ClN3O2/c1-13-6-8-24(9-7-13)19-5-4-15(12-22-19)20(25)23-17-10-14(2)16(21)11-18(17)26-3/h4-5,10-13H,6-9H2,1-3H3,(H,23,25)
InChIKeyMTARYHXYCJICAR-UHFFFAOYSA-N
XLogP4.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (CID 109152600) is N-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccc(N2CCC(C)CC2)nc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is MTARYHXYCJICAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-13-6-8-24(9-7-13)19-5-4-15(12-22-19)20(25)23-17-10-14(2)16(21)11-18(17)26-3/h4-5,10-13H,6-9H2,1-3H3,(H,23,25).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 373.88 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109152600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).