N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide

C22H16N6O3 — CID 167918564

IUPACN-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ncccn2)c1)c1cccc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C22H16N6O3/c29-19-9-8-18(27-28-19)14-4-1-5-15(12-14)21(30)25-16-6-2-7-17(13-16)26-22(31)20-23-10-3-11-24-20/h1-13H,(H,25,30)(H,26,31)(H,28,29)
InChIKeyLLEWYXHLPAUSCQ-UHFFFAOYSA-N
MW412.41 g/mol
LogP2.73
Rot. Bonds5

About N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide

N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide (PubChem CID 167918564) has the molecular formula C22H16N6O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide
PubChem CID167918564
Molecular FormulaC22H16N6O3
Molecular Weight412.41 g/mol
Exact Mass412.13
IUPAC NameN-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ncccn2)c1)c1cccc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C22H16N6O3/c29-19-9-8-18(27-28-19)14-4-1-5-15(12-14)21(30)25-16-6-2-7-17(13-16)26-22(31)20-23-10-3-11-24-20/h1-13H,(H,25,30)(H,26,31)(H,28,29)
InChIKeyLLEWYXHLPAUSCQ-UHFFFAOYSA-N
XLogP2.73
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035357
3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49034784
4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035283
methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate
CID 49033446
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide
CID 108811725
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 49033817
3-methyl-4-nitro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035359
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 49035148
methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035341
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide
CID 49034810
ethyl [4-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenyl] carbonate
CID 108769827

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide (CID 167918564) is N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide is O=C(Nc1cccc(NC(=O)c2ncccn2)c1)c1cccc(-c2ccc(=O)[nH]n2)c1.
What is the InChIKey of N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide?
The InChIKey is LLEWYXHLPAUSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O3/c29-19-9-8-18(27-28-19)14-4-1-5-15(12-14)21(30)25-16-6-2-7-17(13-16)26-22(31)20-23-10-3-11-24-20/h1-13H,(H,25,30)(H,26,31)(H,28,29).
What are the key properties of N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide?
N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide has a molecular weight of 412.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 167918564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).