N-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide

C18H15ClN4O2 — CID 139521576

IUPACN-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(Cc3ccc(Cl)cc3)cn2)ccc1=O
InChIInChI=1S/C18H15ClN4O2/c1-23-17(24)9-7-15(22-23)18(25)21-16-8-4-13(11-20-16)10-12-2-5-14(19)6-3-12/h2-9,11H,10H2,1H3,(H,20,21,25)
InChIKeyVTWMRNZRQQOMCY-UHFFFAOYSA-N
MW354.80 g/mol
LogP2.67
Rot. Bonds4

About N-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 139521576) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID139521576
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC NameN-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(Cc3ccc(Cl)cc3)cn2)ccc1=O
InChIInChI=1S/C18H15ClN4O2/c1-23-17(24)9-7-15(22-23)18(25)21-16-8-4-13(11-20-16)10-12-2-5-14(19)6-3-12/h2-9,11H,10H2,1H3,(H,20,21,25)
InChIKeyVTWMRNZRQQOMCY-UHFFFAOYSA-N
XLogP2.67
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 139521576) is N-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(Cc3ccc(Cl)cc3)cn2)ccc1=O.
What is the InChIKey of N-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is VTWMRNZRQQOMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-23-17(24)9-7-15(22-23)18(25)21-16-8-4-13(11-20-16)10-12-2-5-14(19)6-3-12/h2-9,11H,10H2,1H3,(H,20,21,25).
What are the key properties of N-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 139521576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).