N-[(3-bromophenyl)methyl]-2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide

C25H27BrN4O — CID 53027167

IUPACN-[(3-bromophenyl)methyl]-2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCc1ccc(-n2cc(C3=CCN(CC(=O)NCc4cccc(Br)c4)CC3)cn2)cc1C
InChIInChI=1S/C25H27BrN4O/c1-18-6-7-24(12-19(18)2)30-16-22(15-28-30)21-8-10-29(11-9-21)17-25(31)27-14-20-4-3-5-23(26)13-20/h3-8,12-13,15-16H,9-11,14,17H2,1-2H3,(H,27,31)
InChIKeyNKMZYNLPMMDQRP-UHFFFAOYSA-N
MW479.42 g/mol
LogP4.66
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide

N-[(3-bromophenyl)methyl]-2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 53027167) has the molecular formula C25H27BrN4O and a molecular weight of 479.42 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
PubChem CID53027167
Molecular FormulaC25H27BrN4O
Molecular Weight479.42 g/mol
Exact Mass478.14
IUPAC NameN-[(3-bromophenyl)methyl]-2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCc1ccc(-n2cc(C3=CCN(CC(=O)NCc4cccc(Br)c4)CC3)cn2)cc1C
InChIInChI=1S/C25H27BrN4O/c1-18-6-7-24(12-19(18)2)30-16-22(15-28-30)21-8-10-29(11-9-21)17-25(31)27-14-20-4-3-5-23(26)13-20/h3-8,12-13,15-16H,9-11,14,17H2,1-2H3,(H,27,31)
InChIKeyNKMZYNLPMMDQRP-UHFFFAOYSA-N
XLogP4.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027195
N-[(4-chlorophenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027057
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-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 93056514
N-(3-methylbutyl)-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 20932230
N-[(2-fluorophenyl)methyl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027218
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-(4-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 46320901
N-(2-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027049
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53026951

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 53027167) is N-[(3-bromophenyl)methyl]-2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide is Cc1ccc(-n2cc(C3=CCN(CC(=O)NCc4cccc(Br)c4)CC3)cn2)cc1C.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The InChIKey is NKMZYNLPMMDQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN4O/c1-18-6-7-24(12-19(18)2)30-16-22(15-28-30)21-8-10-29(11-9-21)17-25(31)27-14-20-4-3-5-23(26)13-20/h3-8,12-13,15-16H,9-11,14,17H2,1-2H3,(H,27,31).
What are the key properties of N-[(3-bromophenyl)methyl]-2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
N-[(3-bromophenyl)methyl]-2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 479.42 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 53027167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).