5-(2,4-dimethylphenyl)-N-[(2S)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]pyridine-2-carboxamide

C34H38N4O3 — CID 169234318

IUPAC5-(2,4-dimethylphenyl)-N-[(2S)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)N[C@@H](C)CC3CCN(C(=O)Cc4ccc5[nH]c(=O)cc(C)c5c4)CC3)nc2)c(C)c1
InChIInChI=1S/C34H38N4O3/c1-21-5-8-28(22(2)15-21)27-7-10-31(35-20-27)34(41)36-24(4)17-25-11-13-38(14-12-25)33(40)19-26-6-9-30-29(18-26)23(3)16-32(39)37-30/h5-10,15-16,18,20,24-25H,11-14,17,19H2,1-4H3,(H,36,41)(H,37,39)/t24-/m0/s1
InChIKeyPQSJCTLBPAPREX-DEOSSOPVSA-N
MW550.70 g/mol
LogP5.51
Rot. Bonds7

About 5-(2,4-dimethylphenyl)-N-[(2S)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]pyridine-2-carboxamide

5-(2,4-dimethylphenyl)-N-[(2S)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]pyridine-2-carboxamide (PubChem CID 169234318) has the molecular formula C34H38N4O3 and a molecular weight of 550.70 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-N-[(2S)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-N-[(2S)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]pyridine-2-carboxamide
PubChem CID169234318
Molecular FormulaC34H38N4O3
Molecular Weight550.70 g/mol
Exact Mass550.29
IUPAC Name5-(2,4-dimethylphenyl)-N-[(2S)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)N[C@@H](C)CC3CCN(C(=O)Cc4ccc5[nH]c(=O)cc(C)c5c4)CC3)nc2)c(C)c1
InChIInChI=1S/C34H38N4O3/c1-21-5-8-28(22(2)15-21)27-7-10-31(35-20-27)34(41)36-24(4)17-25-11-13-38(14-12-25)33(40)19-26-6-9-30-29(18-26)23(3)16-32(39)37-30/h5-10,15-16,18,20,24-25H,11-14,17,19H2,1-4H3,(H,36,41)(H,37,39)/t24-/m0/s1
InChIKeyPQSJCTLBPAPREX-DEOSSOPVSA-N
XLogP5.51
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.70
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2,4-dimethylphenyl)-N-[(2S)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[2-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]ethyl]quinoline-2-carboxamide
CID 169234313
[1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid
CID 170161914
1-[4-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63397980
1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 84579139
1-[4-(1-chloroethyl)piperidin-1-yl]-2-(3,4-dimethylphenyl)ethanone
CID 106838762
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 113087417
1-[4-(1-chloroethyl)piperidin-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 106838819
1-[4-(aminomethyl)piperidin-1-yl]-2-(3,4-dimethylphenyl)ethanone
CID 62538155
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide
CID 157255920
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide
CID 63993821
N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide
CID 79796022
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-N-[(2S)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-(2,4-dimethylphenyl)-N-[(2S)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]pyridine-2-carboxamide (CID 169234318) is 5-(2,4-dimethylphenyl)-N-[(2S)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-N-[(2S)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-(2,4-dimethylphenyl)-N-[(2S)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]pyridine-2-carboxamide is Cc1ccc(-c2ccc(C(=O)N[C@@H](C)CC3CCN(C(=O)Cc4ccc5[nH]c(=O)cc(C)c5c4)CC3)nc2)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-N-[(2S)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]pyridine-2-carboxamide?
The InChIKey is PQSJCTLBPAPREX-DEOSSOPVSA-N. The full InChI is InChI=1S/C34H38N4O3/c1-21-5-8-28(22(2)15-21)27-7-10-31(35-20-27)34(41)36-24(4)17-25-11-13-38(14-12-25)33(40)19-26-6-9-30-29(18-26)23(3)16-32(39)37-30/h5-10,15-16,18,20,24-25H,11-14,17,19H2,1-4H3,(H,36,41)(H,37,39)/t24-/m0/s1.
What are the key properties of 5-(2,4-dimethylphenyl)-N-[(2S)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]pyridine-2-carboxamide?
5-(2,4-dimethylphenyl)-N-[(2S)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]pyridine-2-carboxamide has a molecular weight of 550.70 g/mol, XLogP of 5.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-N-[(2S)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 169234318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).