2-(4-methylphenyl)-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-dihydropyridazine-6-carboxamide

C22H23N3O2 — CID 2029285

IUPAC2-(4-methylphenyl)-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-dihydropyridazine-6-carboxamide
SMILESCc1ccc(N2NC(C(=O)N[C@H]3CCCc4ccccc43)=CCC2=O)cc1
InChIInChI=1S/C22H23N3O2/c1-15-9-11-17(12-10-15)25-21(26)14-13-20(24-25)22(27)23-19-8-4-6-16-5-2-3-7-18(16)19/h2-3,5,7,9-13,19,24H,4,6,8,14H2,1H3,(H,23,27)/t19-/m0/s1
InChIKeyWXEXQXJUHTVFAT-IBGZPJMESA-N
MW361.45 g/mol
LogP3.31
Rot. Bonds3

About 2-(4-methylphenyl)-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-dihydropyridazine-6-carboxamide

2-(4-methylphenyl)-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-dihydropyridazine-6-carboxamide (PubChem CID 2029285) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-dihydropyridazine-6-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-dihydropyridazine-6-carboxamide
PubChem CID2029285
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(4-methylphenyl)-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-dihydropyridazine-6-carboxamide
SMILESCc1ccc(N2NC(C(=O)N[C@H]3CCCc4ccccc43)=CCC2=O)cc1
InChIInChI=1S/C22H23N3O2/c1-15-9-11-17(12-10-15)25-21(26)14-13-20(24-25)22(27)23-19-8-4-6-16-5-2-3-7-18(16)19/h2-3,5,7,9-13,19,24H,4,6,8,14H2,1H3,(H,23,27)/t19-/m0/s1
InChIKeyWXEXQXJUHTVFAT-IBGZPJMESA-N
XLogP3.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide
CID 93016508
4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2683079
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785
4-piperidin-1-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679214
4-piperidin-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679213
1-[(4-methylphenyl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 94024025
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
4-acetamido-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7688434
4-[(4-methylphenyl)sulfanylmethyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 94012649
1-(4-methylbenzoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 131896030
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 60682216

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-dihydropyridazine-6-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-dihydropyridazine-6-carboxamide (CID 2029285) is 2-(4-methylphenyl)-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-dihydropyridazine-6-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-dihydropyridazine-6-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-dihydropyridazine-6-carboxamide is Cc1ccc(N2NC(C(=O)N[C@H]3CCCc4ccccc43)=CCC2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-dihydropyridazine-6-carboxamide?
The InChIKey is WXEXQXJUHTVFAT-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-9-11-17(12-10-15)25-21(26)14-13-20(24-25)22(27)23-19-8-4-6-16-5-2-3-7-18(16)19/h2-3,5,7,9-13,19,24H,4,6,8,14H2,1H3,(H,23,27)/t19-/m0/s1.
What are the key properties of 2-(4-methylphenyl)-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-dihydropyridazine-6-carboxamide?
2-(4-methylphenyl)-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-dihydropyridazine-6-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-dihydropyridazine-6-carboxamide is sourced from PubChem (CID 2029285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).