1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide

C26H27N3O4 — CID 26279029

IUPAC1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cn(Cc3ccccc3)cc(C(=O)NC3CC3)c2=O)c1
InChIInChI=1S/C26H27N3O4/c1-28(14-19-9-6-10-21(13-19)33-2)26(32)23-17-29(15-18-7-4-3-5-8-18)16-22(24(23)30)25(31)27-20-11-12-20/h3-10,13,16-17,20H,11-12,14-15H2,1-2H3,(H,27,31)
InChIKeyYNBWOMIVDUXKFI-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.07
Rot. Bonds8

About 1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide

1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide (PubChem CID 26279029) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
PubChem CID26279029
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cn(Cc3ccccc3)cc(C(=O)NC3CC3)c2=O)c1
InChIInChI=1S/C26H27N3O4/c1-28(14-19-9-6-10-21(13-19)33-2)26(32)23-17-29(15-18-7-4-3-5-8-18)16-22(24(23)30)25(31)27-20-11-12-20/h3-10,13,16-17,20H,11-12,14-15H2,1-2H3,(H,27,31)
InChIKeyYNBWOMIVDUXKFI-UHFFFAOYSA-N
XLogP3.07
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26336152
3-N-benzyl-5-N-cyclooctyl-3-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 42433369
5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 42192459
1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 42238224
3-N-benzyl-5-N-cyclooctyl-3-N-methyl-4-oxo-1-[[(2S)-oxolan-2-yl]methyl]pyridine-3,5-dicarboxamide
CID 26348037
1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
CID 26323834
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-butyl-5-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-4-oxopyridine-3-carboxamide
CID 42463209
1-benzyl-N-cyclopropyl-4-oxo-5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]pyridine-3-carboxamide
CID 42323111
1-benzyl-N-cyclopropyl-4-oxo-5-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]pyridine-3-carboxamide
CID 98239602
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
3-cyclopentyl-1-[(3-methoxyphenyl)methyl]-1-methylthiourea
CID 116507613

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide (CID 26279029) is 1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide is COc1cccc(CN(C)C(=O)c2cn(Cc3ccccc3)cc(C(=O)NC3CC3)c2=O)c1.
What is the InChIKey of 1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is YNBWOMIVDUXKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-28(14-19-9-6-10-21(13-19)33-2)26(32)23-17-29(15-18-7-4-3-5-8-18)16-22(24(23)30)25(31)27-20-11-12-20/h3-10,13,16-17,20H,11-12,14-15H2,1-2H3,(H,27,31).
What are the key properties of 1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 26279029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).