N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide

C20H22N4O4 — CID 109084254

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCN1CCN(C(=O)c2ccnc(C(=O)Nc3ccc4c(c3)OCCO4)c2)CC1
InChIInChI=1S/C20H22N4O4/c1-23-6-8-24(9-7-23)20(26)14-4-5-21-16(12-14)19(25)22-15-2-3-17-18(13-15)28-11-10-27-17/h2-5,12-13H,6-11H2,1H3,(H,22,25)
InChIKeyWELYVDIDUHBBDU-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.49
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109084254) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109084254
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCN1CCN(C(=O)c2ccnc(C(=O)Nc3ccc4c(c3)OCCO4)c2)CC1
InChIInChI=1S/C20H22N4O4/c1-23-6-8-24(9-7-23)20(26)14-4-5-21-16(12-14)19(25)22-15-2-3-17-18(13-15)28-11-10-27-17/h2-5,12-13H,6-11H2,1H3,(H,22,25)
InChIKeyWELYVDIDUHBBDU-UHFFFAOYSA-N
XLogP1.49
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090343
2-(azepane-1-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 109090787
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091385
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone chloride
CID 53314046
N-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084396
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091039
N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084356
N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104512
N-(4-fluorophenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082885
N-(3-acetylphenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082912
N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084386
N-(3-chloro-4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084361

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide (CID 109084254) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide is CN1CCN(C(=O)c2ccnc(C(=O)Nc3ccc4c(c3)OCCO4)c2)CC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is WELYVDIDUHBBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-23-6-8-24(9-7-23)20(26)14-4-5-21-16(12-14)19(25)22-15-2-3-17-18(13-15)28-11-10-27-17/h2-5,12-13H,6-11H2,1H3,(H,22,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109084254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).