6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide

C17H14N4O2 — CID 43008369

IUPAC6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccn1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H14N4O2/c22-15-10-9-14(20-21-15)17(23)19-16(12-6-2-1-3-7-12)13-8-4-5-11-18-13/h1-11,16H,(H,19,23)(H,21,22)
InChIKeyJURIGIYFHMVSIT-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.68
Rot. Bonds4

About 6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide (PubChem CID 43008369) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide
PubChem CID43008369
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccn1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H14N4O2/c22-15-10-9-14(20-21-15)17(23)19-16(12-6-2-1-3-7-12)13-8-4-5-11-18-13/h1-11,16H,(H,19,23)(H,21,22)
InChIKeyJURIGIYFHMVSIT-UHFFFAOYSA-N
XLogP1.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 95568756
4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 134025916
1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide
CID 95153673
6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 71144853
(2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid
CID 107314268
N-[phenyl(pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 44765282
N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 78799117
2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51885946
2-methyl-N-[phenyl(pyridin-2-yl)methyl]furan-3-carboxamide
CID 46554509
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide
CID 47007723

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide (CID 43008369) is 6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide is O=C(NC(c1ccccc1)c1ccccn1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide?
The InChIKey is JURIGIYFHMVSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-15-10-9-14(20-21-15)17(23)19-16(12-6-2-1-3-7-12)13-8-4-5-11-18-13/h1-11,16H,(H,19,23)(H,21,22).
What are the key properties of 6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43008369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).