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

C25H28N4O — CID 46320901

IUPACN-(4-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCCc1ccc(NC(=O)CN2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)cc1
InChIInChI=1S/C25H28N4O/c1-3-20-6-8-23(9-7-20)27-25(30)18-28-14-12-21(13-15-28)22-16-26-29(17-22)24-10-4-19(2)5-11-24/h4-12,16-17H,3,13-15,18H2,1-2H3,(H,27,30)
InChIKeyLPKCGWOSQHROBS-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.47
Rot. Bonds6

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

N-(4-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 46320901) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
PubChem CID46320901
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-(4-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCCc1ccc(NC(=O)CN2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)cc1
InChIInChI=1S/C25H28N4O/c1-3-20-6-8-23(9-7-20)27-25(30)18-28-14-12-21(13-15-28)22-16-26-29(17-22)24-10-4-19(2)5-11-24/h4-12,16-17H,3,13-15,18H2,1-2H3,(H,27,30)
InChIKeyLPKCGWOSQHROBS-UHFFFAOYSA-N
XLogP4.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027049
N-(2-chloro-4-methylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027038
N-[(4-chlorophenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027057
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027195
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027001
2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 93056514
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methylphenyl)acetamide
CID 18125015
N-(4-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53026936
N-[(2-fluorophenyl)methyl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027218
N-[(3-bromophenyl)methyl]-2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027167
ethyl 2-[[2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]benzoate
CID 53026940
N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 50983046

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 46320901) is N-(4-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide is CCc1ccc(NC(=O)CN2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The InChIKey is LPKCGWOSQHROBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-3-20-6-8-23(9-7-20)27-25(30)18-28-14-12-21(13-15-28)22-16-26-29(17-22)24-10-4-19(2)5-11-24/h4-12,16-17H,3,13-15,18H2,1-2H3,(H,27,30).
What are the key properties of N-(4-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
N-(4-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 400.53 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 46320901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).