(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl) N-[(4-chlorophenyl)methyl]carbamate

C17H13ClN4O3 — CID 69364831

IUPAC(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl) N-[(4-chlorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(Cl)cc1)Oc1cc(-c2ccncc2)n[nH]c1=O
InChIInChI=1S/C17H13ClN4O3/c18-13-3-1-11(2-4-13)10-20-17(24)25-15-9-14(21-22-16(15)23)12-5-7-19-8-6-12/h1-9H,10H2,(H,20,24)(H,22,23)
InChIKeyVEBGCZDIWJEXEP-UHFFFAOYSA-N
MW356.77 g/mol
LogP2.77
Rot. Bonds4

About (6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl) N-[(4-chlorophenyl)methyl]carbamate

(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl) N-[(4-chlorophenyl)methyl]carbamate (PubChem CID 69364831) has the molecular formula C17H13ClN4O3 and a molecular weight of 356.77 g/mol. Its IUPAC name is (6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl) N-[(4-chlorophenyl)methyl]carbamate.

Molecular Properties

Compound Name(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl) N-[(4-chlorophenyl)methyl]carbamate
PubChem CID69364831
Molecular FormulaC17H13ClN4O3
Molecular Weight356.77 g/mol
Exact Mass356.07
IUPAC Name(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl) N-[(4-chlorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(Cl)cc1)Oc1cc(-c2ccncc2)n[nH]c1=O
InChIInChI=1S/C17H13ClN4O3/c18-13-3-1-11(2-4-13)10-20-17(24)25-15-9-14(21-22-16(15)23)12-5-7-19-8-6-12/h1-9H,10H2,(H,20,24)(H,22,23)
InChIKeyVEBGCZDIWJEXEP-UHFFFAOYSA-N
XLogP2.77
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59018018
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 46109252
3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide
CID 69217820
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
3-[5-[(4-chlorophenyl)methylcarbamoyl]-6-oxo-1H-pyridazin-3-yl]benzoic acid
CID 59018051
N-[(4-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4822899
N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109329026
3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 46920460
methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 142411116
N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59017950
2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 91403681
N-(4-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087363

Frequently Asked Questions

What is the IUPAC name of (6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl) N-[(4-chlorophenyl)methyl]carbamate?
The IUPAC name of (6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl) N-[(4-chlorophenyl)methyl]carbamate (CID 69364831) is (6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl) N-[(4-chlorophenyl)methyl]carbamate.
What is the SMILES notation for (6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl) N-[(4-chlorophenyl)methyl]carbamate?
The canonical SMILES for (6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl) N-[(4-chlorophenyl)methyl]carbamate is O=C(NCc1ccc(Cl)cc1)Oc1cc(-c2ccncc2)n[nH]c1=O.
What is the InChIKey of (6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl) N-[(4-chlorophenyl)methyl]carbamate?
The InChIKey is VEBGCZDIWJEXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O3/c18-13-3-1-11(2-4-13)10-20-17(24)25-15-9-14(21-22-16(15)23)12-5-7-19-8-6-12/h1-9H,10H2,(H,20,24)(H,22,23).
What are the key properties of (6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl) N-[(4-chlorophenyl)methyl]carbamate?
(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl) N-[(4-chlorophenyl)methyl]carbamate has a molecular weight of 356.77 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl) N-[(4-chlorophenyl)methyl]carbamate is sourced from PubChem (CID 69364831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).