N-[(4-chlorophenyl)methyl]-7-methyl-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide

C16H13ClN4O2 — CID 20583289

IUPACN-[(4-chlorophenyl)methyl]-7-methyl-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2n1
InChIInChI=1S/C16H13ClN4O2/c1-10-2-7-14-18-9-13(16(23)21(14)20-10)15(22)19-8-11-3-5-12(17)6-4-11/h2-7,9H,8H2,1H3,(H,19,22)
InChIKeySGNOXIXSSAHXNN-UHFFFAOYSA-N
MW328.76 g/mol
LogP1.98
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-7-methyl-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide

N-[(4-chlorophenyl)methyl]-7-methyl-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide (PubChem CID 20583289) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-7-methyl-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-7-methyl-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide
PubChem CID20583289
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC NameN-[(4-chlorophenyl)methyl]-7-methyl-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2n1
InChIInChI=1S/C16H13ClN4O2/c1-10-2-7-14-18-9-13(16(23)21(14)20-10)15(22)19-8-11-3-5-12(17)6-4-11/h2-7,9H,8H2,1H3,(H,19,22)
InChIKeySGNOXIXSSAHXNN-UHFFFAOYSA-N
XLogP1.98
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-7-(morpholin-4-ylmethyl)-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide
CID 22397240
N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 53007174
N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 71458576
6-chloro-N-[(4-chlorophenyl)methyl]-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carboxamide
CID 69217418
N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
4-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 107230340
5-chloro-N-[(4-chlorophenyl)methyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26911967
2,7-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 38797108
N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide
CID 109119900
N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35522172
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156061
N-[(4-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 53014872

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-7-methyl-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-7-methyl-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide (CID 20583289) is N-[(4-chlorophenyl)methyl]-7-methyl-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-7-methyl-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-7-methyl-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide is Cc1ccc2ncc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-7-methyl-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide?
The InChIKey is SGNOXIXSSAHXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-10-2-7-14-18-9-13(16(23)21(14)20-10)15(22)19-8-11-3-5-12(17)6-4-11/h2-7,9H,8H2,1H3,(H,19,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-7-methyl-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-7-methyl-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-7-methyl-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 20583289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).