N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide

C21H25N3O4 — CID 109081759

IUPACN-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(=O)N3CCC(C)CC3)ccn2)c(OC)c1
InChIInChI=1S/C21H25N3O4/c1-14-7-10-24(11-8-14)21(26)15-6-9-22-18(12-15)20(25)23-17-5-4-16(27-2)13-19(17)28-3/h4-6,9,12-14H,7-8,10-11H2,1-3H3,(H,23,25)
InChIKeySJTIBWQTDANIRT-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.22
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide

N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109081759) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109081759
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(=O)N3CCC(C)CC3)ccn2)c(OC)c1
InChIInChI=1S/C21H25N3O4/c1-14-7-10-24(11-8-14)21(26)15-6-9-22-18(12-15)20(25)23-17-5-4-16(27-2)13-19(17)28-3/h4-6,9,12-14H,7-8,10-11H2,1-3H3,(H,23,25)
InChIKeySJTIBWQTDANIRT-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-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081755
N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081751
N-(2,4-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081309
2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109090770
N-(4-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081898
4-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078214
N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
CID 110860588
N-(4-fluorophenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081738
4-N-(2,4-dimethoxyphenyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078342
N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081685
N-[4-(dimethylamino)phenyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081771
4-N-(2,4-dimethoxyphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109093166

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide (CID 109081759) is N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide is COc1ccc(NC(=O)c2cc(C(=O)N3CCC(C)CC3)ccn2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is SJTIBWQTDANIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14-7-10-24(11-8-14)21(26)15-6-9-22-18(12-15)20(25)23-17-5-4-16(27-2)13-19(17)28-3/h4-6,9,12-14H,7-8,10-11H2,1-3H3,(H,23,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-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-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109081759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).