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

C18H14ClFN4O2 — CID 139521602

IUPACN-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(Cc3cc(F)cc(Cl)c3)cn2)ccc1=O
InChIInChI=1S/C18H14ClFN4O2/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/h2-5,7-10H,6H2,1H3,(H,21,22,26)
InChIKeySJQZGUDIZLVMAF-UHFFFAOYSA-N
MW372.79 g/mol
LogP2.81
Rot. Bonds4

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

N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 139521602) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID139521602
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC NameN-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(Cc3cc(F)cc(Cl)c3)cn2)ccc1=O
InChIInChI=1S/C18H14ClFN4O2/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/h2-5,7-10H,6H2,1H3,(H,21,22,26)
InChIKeySJQZGUDIZLVMAF-UHFFFAOYSA-N
XLogP2.81
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 36851
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CID 790317
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CID 118956202
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CID 132256715
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CID 807804
CID 807804
CID 168072332
CID 168072332
CID 168072525
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CID 691131
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CID 946212
CID 946212

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 139521602) is N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(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-oxopyridazine-3-carboxamide?
The InChIKey is SJQZGUDIZLVMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/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/h2-5,7-10H,6H2,1H3,(H,21,22,26).
What are the key properties of N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 372.79 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 139521602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).