7-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide

C18H19ClN4O3 — CID 24628747

IUPAC7-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3cc(Cl)c4c(c3)OCO4)cn2)CC1
InChIInChI=1S/C18H19ClN4O3/c1-22-4-6-23(7-5-22)16-3-2-13(10-20-16)21-18(24)12-8-14(19)17-15(9-12)25-11-26-17/h2-3,8-10H,4-7,11H2,1H3,(H,21,24)
InChIKeyOTRLJUOUWJTGPI-UHFFFAOYSA-N
MW374.83 g/mol
LogP2.47
Rot. Bonds3

About 7-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide

7-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 24628747) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 7-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
PubChem CID24628747
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name7-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3cc(Cl)c4c(c3)OCO4)cn2)CC1
InChIInChI=1S/C18H19ClN4O3/c1-22-4-6-23(7-5-22)16-3-2-13(10-20-16)21-18(24)12-8-14(19)17-15(9-12)25-11-26-17/h2-3,8-10H,4-7,11H2,1H3,(H,21,24)
InChIKeyOTRLJUOUWJTGPI-UHFFFAOYSA-N
XLogP2.47
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 17461264
5-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55791037
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1,3-benzodioxole-5-carboxamide
CID 91967957
5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
CID 68683834
5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 30548234
5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 25468464
N-[6-(4-benzoylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 42850096
3-(azepan-1-ylsulfonyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 24592308
6-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 26126543
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide
CID 136543255
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea
CID 78833294

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide (CID 24628747) is 7-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide is CN1CCN(c2ccc(NC(=O)c3cc(Cl)c4c(c3)OCO4)cn2)CC1.
What is the InChIKey of 7-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is OTRLJUOUWJTGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-22-4-6-23(7-5-22)16-3-2-13(10-20-16)21-18(24)12-8-14(19)17-15(9-12)25-11-26-17/h2-3,8-10H,4-7,11H2,1H3,(H,21,24).
What are the key properties of 7-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
7-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 374.83 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 24628747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).