2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide

C27H32N4O — CID 93056514

IUPAC2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCc1ccc(-n2cc(C3=CCN(CC(=O)N[C@H](C)CCc4ccccc4)CC3)cn2)cc1
InChIInChI=1S/C27H32N4O/c1-21-8-12-26(13-9-21)31-19-25(18-28-31)24-14-16-30(17-15-24)20-27(32)29-22(2)10-11-23-6-4-3-5-7-23/h3-9,12-14,18-19,22H,10-11,15-17,20H2,1-2H3,(H,29,32)/t22-/m1/s1
InChIKeyGTKYYKQSSBODJV-JOCHJYFZSA-N
MW428.58 g/mol
LogP4.41
Rot. Bonds8

About 2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 93056514) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID93056514
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCc1ccc(-n2cc(C3=CCN(CC(=O)N[C@H](C)CCc4ccccc4)CC3)cn2)cc1
InChIInChI=1S/C27H32N4O/c1-21-8-12-26(13-9-21)31-19-25(18-28-31)24-14-16-30(17-15-24)20-27(32)29-22(2)10-11-23-6-4-3-5-7-23/h3-9,12-14,18-19,22H,10-11,15-17,20H2,1-2H3,(H,29,32)/t22-/m1/s1
InChIKeyGTKYYKQSSBODJV-JOCHJYFZSA-N
XLogP4.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 20932230
N-[(4-chlorophenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027057
N-(2-chloro-4-methylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027038
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027001
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027195
N-[(3-bromophenyl)methyl]-2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027167
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 53027087
2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 53005790
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 53027086
2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93056502
ethyl 4-[[2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 53026986
2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide
CID 95067165

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 93056514) is 2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide is Cc1ccc(-n2cc(C3=CCN(CC(=O)N[C@H](C)CCc4ccccc4)CC3)cn2)cc1.
What is the InChIKey of 2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is GTKYYKQSSBODJV-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H32N4O/c1-21-8-12-26(13-9-21)31-19-25(18-28-31)24-14-16-30(17-15-24)20-27(32)29-22(2)10-11-23-6-4-3-5-7-23/h3-9,12-14,18-19,22H,10-11,15-17,20H2,1-2H3,(H,29,32)/t22-/m1/s1.
What are the key properties of 2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 428.58 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 93056514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).