5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide

C29H27N3O3 — CID 26399691

IUPAC5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide
SMILESC[C@H](NC(=O)c1cn(C2CC2)cc(C(=O)NCc2ccccc2)c1=O)c1cccc2ccccc12
InChIInChI=1S/C29H27N3O3/c1-19(23-13-7-11-21-10-5-6-12-24(21)23)31-29(35)26-18-32(22-14-15-22)17-25(27(26)33)28(34)30-16-20-8-3-2-4-9-20/h2-13,17-19,22H,14-16H2,1H3,(H,30,34)(H,31,35)/t19-/m0/s1
InChIKeyZMBZNWRGVCHYRY-IBGZPJMESA-N
MW465.55 g/mol
LogP4.76
Rot. Bonds7

About 5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide

5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide (PubChem CID 26399691) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is 5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide
PubChem CID26399691
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC Name5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide
SMILESC[C@H](NC(=O)c1cn(C2CC2)cc(C(=O)NCc2ccccc2)c1=O)c1cccc2ccccc12
InChIInChI=1S/C29H27N3O3/c1-19(23-13-7-11-21-10-5-6-12-24(21)23)31-29(35)26-18-32(22-14-15-22)17-25(27(26)33)28(34)30-16-20-8-3-2-4-9-20/h2-13,17-19,22H,14-16H2,1H3,(H,30,34)(H,31,35)/t19-/m0/s1
InChIKeyZMBZNWRGVCHYRY-IBGZPJMESA-N
XLogP4.76
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide with MolForge

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Related Compounds

5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide
CID 26363741
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231845
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
2-(cyclopropanecarbonylamino)-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 167794265
1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 45195813
1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42366923
2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
CID 170337732
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45250841
3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 25291228

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide (CID 26399691) is 5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide is C[C@H](NC(=O)c1cn(C2CC2)cc(C(=O)NCc2ccccc2)c1=O)c1cccc2ccccc12.
What is the InChIKey of 5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is ZMBZNWRGVCHYRY-IBGZPJMESA-N. The full InChI is InChI=1S/C29H27N3O3/c1-19(23-13-7-11-21-10-5-6-12-24(21)23)31-29(35)26-18-32(22-14-15-22)17-25(27(26)33)28(34)30-16-20-8-3-2-4-9-20/h2-13,17-19,22H,14-16H2,1H3,(H,30,34)(H,31,35)/t19-/m0/s1.
What are the key properties of 5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide?
5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 465.55 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 26399691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).