N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

C18H20N4O3 — CID 109186573

IUPACN-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3ccc4c(c3)OCO4)nc2)CC1
InChIInChI=1S/C18H20N4O3/c1-21-6-8-22(9-7-21)14-3-4-15(19-11-14)18(23)20-13-2-5-16-17(10-13)25-12-24-16/h2-5,10-11H,6-9,12H2,1H3,(H,20,23)
InChIKeyQCLXTAPGCDOSBU-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.81
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109186573) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109186573
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3ccc4c(c3)OCO4)nc2)CC1
InChIInChI=1S/C18H20N4O3/c1-21-6-8-22(9-7-21)14-3-4-15(19-11-14)18(23)20-13-2-5-16-17(10-13)25-12-24-16/h2-5,10-11H,6-9,12H2,1H3,(H,20,23)
InChIKeyQCLXTAPGCDOSBU-UHFFFAOYSA-N
XLogP1.81
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109197942
5-(4-methylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109186547
3-(1,3-benzodioxol-5-ylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
CID 4155928
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1,3-benzodioxole-5-carboxamide
CID 91967957
N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide
CID 109180197
3-(1,3-benzodioxol-5-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041927
N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104512
5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179498
N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109198757
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109199937
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366985
N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186586

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (CID 109186573) is N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is CN1CCN(c2ccc(C(=O)Nc3ccc4c(c3)OCO4)nc2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is QCLXTAPGCDOSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-21-6-8-22(9-7-21)14-3-4-15(19-11-14)18(23)20-13-2-5-16-17(10-13)25-12-24-16/h2-5,10-11H,6-9,12H2,1H3,(H,20,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109186573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).