N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide

C20H23N3O3 — CID 109081751

IUPACN-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C(=O)N3CCC(C)CC3)ccn2)c1
InChIInChI=1S/C20H23N3O3/c1-14-7-10-23(11-8-14)20(25)15-6-9-21-18(12-15)19(24)22-16-4-3-5-17(13-16)26-2/h3-6,9,12-14H,7-8,10-11H2,1-2H3,(H,22,24)
InChIKeyKOGSPXRQNPDXJH-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.21
Rot. Bonds4

About N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide

N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109081751) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109081751
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C(=O)N3CCC(C)CC3)ccn2)c1
InChIInChI=1S/C20H23N3O3/c1-14-7-10-23(11-8-14)20(25)15-6-9-21-18(12-15)19(24)22-16-4-3-5-17(13-16)26-2/h3-6,9,12-14H,7-8,10-11H2,1-2H3,(H,22,24)
InChIKeyKOGSPXRQNPDXJH-UHFFFAOYSA-N
XLogP3.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide (CID 109081751) is N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide is COc1cccc(NC(=O)c2cc(C(=O)N3CCC(C)CC3)ccn2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is KOGSPXRQNPDXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-7-10-23(11-8-14)20(25)15-6-9-21-18(12-15)19(24)22-16-4-3-5-17(13-16)26-2/h3-6,9,12-14H,7-8,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109081751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).