N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(pyridin-2-ylamino)propyl]pyridazine-3-carboxamide

C20H19N5O3 — CID 53066130

IUPACN-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(pyridin-2-ylamino)propyl]pyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3ccccn3)n2)c1
InChIInChI=1S/C20H19N5O3/c1-14-5-4-6-15(13-14)22-20(28)16-8-9-19(27)25(24-16)12-10-18(26)23-17-7-2-3-11-21-17/h2-9,11,13H,10,12H2,1H3,(H,22,28)(H,21,23,26)
InChIKeyWEVWOVSYHNPXSK-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.23
Rot. Bonds6

About N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(pyridin-2-ylamino)propyl]pyridazine-3-carboxamide

N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(pyridin-2-ylamino)propyl]pyridazine-3-carboxamide (PubChem CID 53066130) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(pyridin-2-ylamino)propyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(pyridin-2-ylamino)propyl]pyridazine-3-carboxamide
PubChem CID53066130
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(pyridin-2-ylamino)propyl]pyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3ccccn3)n2)c1
InChIInChI=1S/C20H19N5O3/c1-14-5-4-6-15(13-14)22-20(28)16-8-9-19(27)25(24-16)12-10-18(26)23-17-7-2-3-11-21-17/h2-9,11,13H,10,12H2,1H3,(H,22,28)(H,21,23,26)
InChIKeyWEVWOVSYHNPXSK-UHFFFAOYSA-N
XLogP2.23
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066077
1-[3-(5-chloro-2-methylanilino)-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066085
1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066008
1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066191
1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 53065932
N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide
CID 53027332
3-[3-(2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)propanamide
CID 53066069
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066086
1-[3-(3,4-difluoroanilino)-3-oxopropyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53065999
1-[3-(2-chloro-4-methylanilino)-3-oxopropyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53065987
1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 24677650
N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31853823

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(pyridin-2-ylamino)propyl]pyridazine-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(pyridin-2-ylamino)propyl]pyridazine-3-carboxamide (CID 53066130) is N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(pyridin-2-ylamino)propyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(pyridin-2-ylamino)propyl]pyridazine-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(pyridin-2-ylamino)propyl]pyridazine-3-carboxamide is Cc1cccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3ccccn3)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(pyridin-2-ylamino)propyl]pyridazine-3-carboxamide?
The InChIKey is WEVWOVSYHNPXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-14-5-4-6-15(13-14)22-20(28)16-8-9-19(27)25(24-16)12-10-18(26)23-17-7-2-3-11-21-17/h2-9,11,13H,10,12H2,1H3,(H,22,28)(H,21,23,26).
What are the key properties of N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(pyridin-2-ylamino)propyl]pyridazine-3-carboxamide?
N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(pyridin-2-ylamino)propyl]pyridazine-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(pyridin-2-ylamino)propyl]pyridazine-3-carboxamide is sourced from PubChem (CID 53066130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).