N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide

C20H21N3O4 — CID 109095533

IUPACN-(1,3-benzodioxol-5-yl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCC1CCN(C(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)n2)CC1
InChIInChI=1S/C20H21N3O4/c1-13-7-9-23(10-8-13)20(25)16-4-2-3-15(22-16)19(24)21-14-5-6-17-18(11-14)27-12-26-17/h2-6,11,13H,7-10,12H2,1H3,(H,21,24)
InChIKeyLLEPEQBUYOORGT-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.93
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide

N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109095533) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109095533
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCC1CCN(C(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)n2)CC1
InChIInChI=1S/C20H21N3O4/c1-13-7-9-23(10-8-13)20(25)16-4-2-3-15(22-16)19(24)21-14-5-6-17-18(11-14)27-12-26-17/h2-6,11,13H,7-10,12H2,1H3,(H,21,24)
InChIKeyLLEPEQBUYOORGT-UHFFFAOYSA-N
XLogP2.93
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095552
6-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109095520
[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 71818281
N-(1,3-benzodioxol-5-yl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323074
2-N-(1,3-benzodioxol-5-yl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101072
[6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109342470
ethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109095536
2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101071
2-N-(1,3-benzodioxol-5-yl)-6-N-(2-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100819
N-(2,4-dimethylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095478
2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100925
6-N-cyclopropyl-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide
CID 109093973

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide (CID 109095533) is N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide is CC1CCN(C(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)n2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is LLEPEQBUYOORGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-7-9-23(10-8-13)20(25)16-4-2-3-15(22-16)19(24)21-14-5-6-17-18(11-14)27-12-26-17/h2-6,11,13H,7-10,12H2,1H3,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109095533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).