2-chloro-N-(2,5-dimethylpyrrol-1-yl)-3-methoxy-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide

C18H19ClN4O3 — CID 23128022

IUPAC2-chloro-N-(2,5-dimethylpyrrol-1-yl)-3-methoxy-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
SMILESCOc1c(C2=NNC(=O)CC2)ccc(C(=O)Nn2c(C)ccc2C)c1Cl
InChIInChI=1S/C18H19ClN4O3/c1-10-4-5-11(2)23(10)22-18(25)13-7-6-12(17(26-3)16(13)19)14-8-9-15(24)21-20-14/h4-7H,8-9H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyLSJMOCMHXLQRBH-UHFFFAOYSA-N
MW374.83 g/mol
LogP2.76
Rot. Bonds4

About 2-chloro-N-(2,5-dimethylpyrrol-1-yl)-3-methoxy-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide

2-chloro-N-(2,5-dimethylpyrrol-1-yl)-3-methoxy-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide (PubChem CID 23128022) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 2-chloro-N-(2,5-dimethylpyrrol-1-yl)-3-methoxy-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,5-dimethylpyrrol-1-yl)-3-methoxy-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
PubChem CID23128022
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name2-chloro-N-(2,5-dimethylpyrrol-1-yl)-3-methoxy-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
SMILESCOc1c(C2=NNC(=O)CC2)ccc(C(=O)Nn2c(C)ccc2C)c1Cl
InChIInChI=1S/C18H19ClN4O3/c1-10-4-5-11(2)23(10)22-18(25)13-7-6-12(17(26-3)16(13)19)14-8-9-15(24)21-20-14/h4-7H,8-9H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyLSJMOCMHXLQRBH-UHFFFAOYSA-N
XLogP2.76
TPSA84.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,5-dimethylpyrrol-1-yl)-3-methoxy-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-(2,5-dimethylpyrrol-1-yl)-3-methoxy-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide (CID 23128022) is 2-chloro-N-(2,5-dimethylpyrrol-1-yl)-3-methoxy-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2,5-dimethylpyrrol-1-yl)-3-methoxy-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2,5-dimethylpyrrol-1-yl)-3-methoxy-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide is COc1c(C2=NNC(=O)CC2)ccc(C(=O)Nn2c(C)ccc2C)c1Cl.
What is the InChIKey of 2-chloro-N-(2,5-dimethylpyrrol-1-yl)-3-methoxy-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide?
The InChIKey is LSJMOCMHXLQRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-10-4-5-11(2)23(10)22-18(25)13-7-6-12(17(26-3)16(13)19)14-8-9-15(24)21-20-14/h4-7H,8-9H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 2-chloro-N-(2,5-dimethylpyrrol-1-yl)-3-methoxy-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide?
2-chloro-N-(2,5-dimethylpyrrol-1-yl)-3-methoxy-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide has a molecular weight of 374.83 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,5-dimethylpyrrol-1-yl)-3-methoxy-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide is sourced from PubChem (CID 23128022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).