N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C18H16ClFN4O2 — CID 139521796

IUPACN-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ccc(Cc3cc(F)cc(Cl)c3)cn2)CCC1=O
InChIInChI=1S/C18H16ClFN4O2/c1-24-17(25)5-3-15(23-24)18(26)22-16-4-2-11(10-21-16)6-12-7-13(19)9-14(20)8-12/h2,4,7-10H,3,5-6H2,1H3,(H,21,22,26)
InChIKeyGTCCWBVYZJNTAW-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.01
Rot. Bonds4

About N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 139521796) has the molecular formula C18H16ClFN4O2 and a molecular weight of 374.80 g/mol. Its IUPAC name is N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID139521796
Molecular FormulaC18H16ClFN4O2
Molecular Weight374.80 g/mol
Exact Mass374.09
IUPAC NameN-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ccc(Cc3cc(F)cc(Cl)c3)cn2)CCC1=O
InChIInChI=1S/C18H16ClFN4O2/c1-24-17(25)5-3-15(23-24)18(26)22-16-4-2-11(10-21-16)6-12-7-13(19)9-14(20)8-12/h2,4,7-10H,3,5-6H2,1H3,(H,21,22,26)
InChIKeyGTCCWBVYZJNTAW-UHFFFAOYSA-N
XLogP3.01
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-6-oxo-N-[5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridinyl]-4,5-dihydropyridazine-3-carboxamide
CID 139521614
N-[5-[(3-formylphenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521639
N-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521423
N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521766
4-(bromomethyl)-1-chloro-2-fluorobenzene;5-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-amine;N-[5-[(4-chloro-3-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 167661078
2-chloro-5-(chloromethyl)pyridine;2-chloro-5-[[3-(difluoromethyl)phenyl]methyl]pyridine;[3-(difluoromethyl)phenyl]boronic acid;5-[[3-(difluoromethyl)phenyl]methyl]pyridin-2-amine;N-[5-[[3-(difluoromethyl)phenyl]methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 167551446
N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide
CID 167579005
N-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 34802438
N-[6-[(3-chlorophenoxy)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521417
N-[6-[(5-chlorothiophen-2-yl)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 155153150
N-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521917
2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 43358512

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 139521796) is N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)Nc2ccc(Cc3cc(F)cc(Cl)c3)cn2)CCC1=O.
What is the InChIKey of N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is GTCCWBVYZJNTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O2/c1-24-17(25)5-3-15(23-24)18(26)22-16-4-2-11(10-21-16)6-12-7-13(19)9-14(20)8-12/h2,4,7-10H,3,5-6H2,1H3,(H,21,22,26).
What are the key properties of N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 374.80 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 139521796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).