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

C18H15ClN4O3 — CID 155153066

IUPACN-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(COc3cccc(Cl)c3)cn2)ccc1=O
InChIInChI=1S/C18H15ClN4O3/c1-23-17(24)8-6-15(22-23)18(25)21-16-7-5-12(10-20-16)11-26-14-4-2-3-13(19)9-14/h2-10H,11H2,1H3,(H,20,21,25)
InChIKeyJKVCMCSUNCGRPN-UHFFFAOYSA-N
MW370.80 g/mol
LogP2.66
Rot. Bonds5

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

N-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 155153066) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is N-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID155153066
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC NameN-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(COc3cccc(Cl)c3)cn2)ccc1=O
InChIInChI=1S/C18H15ClN4O3/c1-23-17(24)8-6-15(22-23)18(25)21-16-7-5-12(10-20-16)11-26-14-4-2-3-13(19)9-14/h2-10H,11H2,1H3,(H,20,21,25)
InChIKeyJKVCMCSUNCGRPN-UHFFFAOYSA-N
XLogP2.66
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139521986
5-[(3-chlorophenoxy)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-2-carboxamide
CID 155153106
N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139522097
N-[5-(3-fluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139521777
N'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide
CID 51163217
N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide
CID 167579005
N-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 139521731
5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide
CID 139522140
3-(3-chlorophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47325752
4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341922
N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide
CID 139521601
N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19286274

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 155153066) is N-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(COc3cccc(Cl)c3)cn2)ccc1=O.
What is the InChIKey of N-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is JKVCMCSUNCGRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c1-23-17(24)8-6-15(22-23)18(25)21-16-7-5-12(10-20-16)11-26-14-4-2-3-13(19)9-14/h2-10H,11H2,1H3,(H,20,21,25).
What are the key properties of N-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 370.80 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 155153066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).