N-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide

C21H25N3O4 — CID 109103257

IUPACN-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(C(=O)N3CCC(C)CC3)c2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-14-6-8-24(9-7-14)21(26)16-10-15(12-22-13-16)20(25)23-17-4-5-18(27-2)19(11-17)28-3/h4-5,10-14H,6-9H2,1-3H3,(H,23,25)
InChIKeyLRISPWKTFFHZMX-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.22
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide

N-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109103257) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109103257
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(C(=O)N3CCC(C)CC3)c2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-14-6-8-24(9-7-14)21(26)16-10-15(12-22-13-16)20(25)23-17-4-5-18(27-2)19(11-17)28-3/h4-5,10-14H,6-9H2,1-3H3,(H,23,25)
InChIKeyLRISPWKTFFHZMX-UHFFFAOYSA-N
XLogP3.22
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052372
methyl 4-[[5-(4-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109103267
N-(4-acetamidophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103264
N-(3-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103248
N-(3,4-dichlorophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103278
N-(4-chlorophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103238
N-(4-ethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103251
N-(3-chloro-4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102940
[6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152644
5-(pyrrolidine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109102640
N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226574
N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942812

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide (CID 109103257) is N-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cncc(C(=O)N3CCC(C)CC3)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is LRISPWKTFFHZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14-6-8-24(9-7-14)21(26)16-10-15(12-22-13-16)20(25)23-17-4-5-18(27-2)19(11-17)28-3/h4-5,10-14H,6-9H2,1-3H3,(H,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109103257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).