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

C21H19FN4O2 — CID 139512605

IUPAC1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cc2cccc(F)c2)cn1)c1ccc(=O)n(CC2CC2)n1
InChIInChI=1S/C21H19FN4O2/c22-17-3-1-2-15(11-17)10-16-6-8-19(23-12-16)24-21(28)18-7-9-20(27)26(25-18)13-14-4-5-14/h1-3,6-9,11-12,14H,4-5,10,13H2,(H,23,24,28)
InChIKeyPQEBCOYBIYSERK-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.03
Rot. Bonds6

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

1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide (PubChem CID 139512605) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide
PubChem CID139512605
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cc2cccc(F)c2)cn1)c1ccc(=O)n(CC2CC2)n1
InChIInChI=1S/C21H19FN4O2/c22-17-3-1-2-15(11-17)10-16-6-8-19(23-12-16)24-21(28)18-7-9-20(27)26(25-18)13-14-4-5-14/h1-3,6-9,11-12,14H,4-5,10,13H2,(H,23,24,28)
InChIKeyPQEBCOYBIYSERK-UHFFFAOYSA-N
XLogP3.03
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide with MolForge

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Related Compounds

N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide
CID 139521601
N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 155700089
N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139522097
5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide
CID 139522140
1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-2-ylpyridazine-3-carboxamide
CID 30859072
5-bromo-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1,2-thiazolidine-3-carboxamide
CID 155700104
N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 42161937
N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide
CID 167579005
N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-imino-1-methanimidoylpyridine-3-carboxamide
CID 139521752
N-[5-(3-fluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139521777
N-[1-(cyclopropylmethyl)indazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 155916035
N-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 155153066

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide (CID 139512605) is 1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide is O=C(Nc1ccc(Cc2cccc(F)c2)cn1)c1ccc(=O)n(CC2CC2)n1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is PQEBCOYBIYSERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-17-3-1-2-15(11-17)10-16-6-8-19(23-12-16)24-21(28)18-7-9-20(27)26(25-18)13-14-4-5-14/h1-3,6-9,11-12,14H,4-5,10,13H2,(H,23,24,28).
What are the key properties of 1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide?
1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 139512605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).