5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide

C26H33N3O4 — CID 26343862

IUPAC5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
SMILESCN(C[C@H](O)c1ccccc1)C(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O
InChIInChI=1S/C26H33N3O4/c1-28(17-23(30)18-9-5-4-6-10-18)26(33)22-16-29(20-13-14-20)15-21(24(22)31)25(32)27-19-11-7-2-3-8-12-19/h4-6,9-10,15-16,19-20,23,30H,2-3,7-8,11-14,17H2,1H3,(H,27,32)/t23-/m0/s1
InChIKeyGMIMDKFEPHWHQP-QHCPKHFHSA-N
MW451.57 g/mol
LogP3.44
Rot. Bonds7

About 5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide

5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide (PubChem CID 26343862) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
PubChem CID26343862
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
SMILESCN(C[C@H](O)c1ccccc1)C(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O
InChIInChI=1S/C26H33N3O4/c1-28(17-23(30)18-9-5-4-6-10-18)26(33)22-16-29(20-13-14-20)15-21(24(22)31)25(32)27-19-11-7-2-3-8-12-19/h4-6,9-10,15-16,19-20,23,30H,2-3,7-8,11-14,17H2,1H3,(H,27,32)/t23-/m0/s1
InChIKeyGMIMDKFEPHWHQP-QHCPKHFHSA-N
XLogP3.44
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26282384
5-N-cyclohexyl-1-cyclopropyl-3-N-methyl-4-oxo-3-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3,5-dicarboxamide
CID 42421580
1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26336152
3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
CID 42540450
3-N-benzyl-5-N-cyclooctyl-3-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 42433369
1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26339286
N-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide
CID 42432926
3-N-benzyl-5-N-cyclooctyl-3-N-methyl-4-oxo-1-[[(2S)-oxolan-2-yl]methyl]pyridine-3,5-dicarboxamide
CID 26348037
3-N-[(3R)-1-benzylpyrrolidin-3-yl]-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide
CID 42246750
3-N-(1-benzylpyrrolidin-3-yl)-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide
CID 45169086
1-cyclohexyl-N-cyclopentyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 26339108
N-cyclohexyl-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 42499907

Frequently Asked Questions

What is the IUPAC name of 5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide (CID 26343862) is 5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide is CN(C[C@H](O)c1ccccc1)C(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O.
What is the InChIKey of 5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is GMIMDKFEPHWHQP-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-28(17-23(30)18-9-5-4-6-10-18)26(33)22-16-29(20-13-14-20)15-21(24(22)31)25(32)27-19-11-7-2-3-8-12-19/h4-6,9-10,15-16,19-20,23,30H,2-3,7-8,11-14,17H2,1H3,(H,27,32)/t23-/m0/s1.
What are the key properties of 5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 451.57 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 26343862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).