N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide

C19H20N4O4 — CID 109104512

IUPACN-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCN1CCN(C(=O)c2cncc(C(=O)Nc3ccc4c(c3)OCO4)c2)CC1
InChIInChI=1S/C19H20N4O4/c1-22-4-6-23(7-5-22)19(25)14-8-13(10-20-11-14)18(24)21-15-2-3-16-17(9-15)27-12-26-16/h2-3,8-11H,4-7,12H2,1H3,(H,21,24)
InChIKeyGBUDGFDTSILICX-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.45
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109104512) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109104512
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCN1CCN(C(=O)c2cncc(C(=O)Nc3ccc4c(c3)OCO4)c2)CC1
InChIInChI=1S/C19H20N4O4/c1-22-4-6-23(7-5-22)19(25)14-8-13(10-20-11-14)18(24)21-15-2-3-16-17(9-15)27-12-26-16/h2-3,8-11H,4-7,12H2,1H3,(H,21,24)
InChIKeyGBUDGFDTSILICX-UHFFFAOYSA-N
XLogP1.45
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104531
methyl 4-[[5-(4-methylpiperazine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109104507
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084254
5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide
CID 109108795
5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109109030
ethyl 4-[5-(1,3-benzodioxol-5-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109238382
5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide
CID 109104153
N-(1,3-benzodioxol-5-yl)-5-(butan-2-ylamino)pyridine-3-carboxamide
CID 109225469
N-(4-acetamidophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102613
N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186573
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104549
N-(1,3-benzodioxol-5-yl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109229419

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide (CID 109104512) is N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide is CN1CCN(C(=O)c2cncc(C(=O)Nc3ccc4c(c3)OCO4)c2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is GBUDGFDTSILICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-22-4-6-23(7-5-22)19(25)14-8-13(10-20-11-14)18(24)21-15-2-3-16-17(9-15)27-12-26-16/h2-3,8-11H,4-7,12H2,1H3,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 1.45, 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-methylpiperazine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109104512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).