3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide

C29H39N3O4 — CID 28810026

IUPAC3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide
SMILESCOCCn1cc(C(=O)NCC2(c3ccccc3)CCCC2)c(=O)c(C(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C29H39N3O4/c1-31(23-13-7-4-8-14-23)28(35)25-20-32(17-18-36-2)19-24(26(25)33)27(34)30-21-29(15-9-10-16-29)22-11-5-3-6-12-22/h3,5-6,11-12,19-20,23H,4,7-10,13-18,21H2,1-2H3,(H,30,34)
InChIKeyQFUXGGPIHNZFIK-UHFFFAOYSA-N
MW493.65 g/mol
LogP4.14
Rot. Bonds9

About 3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide

3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide (PubChem CID 28810026) has the molecular formula C29H39N3O4 and a molecular weight of 493.65 g/mol. Its IUPAC name is 3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide
PubChem CID28810026
Molecular FormulaC29H39N3O4
Molecular Weight493.65 g/mol
Exact Mass493.29
IUPAC Name3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide
SMILESCOCCn1cc(C(=O)NCC2(c3ccccc3)CCCC2)c(=O)c(C(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C29H39N3O4/c1-31(23-13-7-4-8-14-23)28(35)25-20-32(17-18-36-2)19-24(26(25)33)27(34)30-21-29(15-9-10-16-29)22-11-5-3-6-12-22/h3,5-6,11-12,19-20,23H,4,7-10,13-18,21H2,1-2H3,(H,30,34)
InChIKeyQFUXGGPIHNZFIK-UHFFFAOYSA-N
XLogP4.14
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide
CID 42499399
methyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate
CID 25305978
1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide
CID 26403133
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
CID 42482348
2-(2-methoxyethylamino)-N-[(1-phenylcyclopentyl)methyl]acetamide;hydrochloride
CID 119698187
2-(2-methoxyethylamino)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 119699125
3-N-cyclohexyl-1-[(2-methoxyphenyl)methyl]-3-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 26278405
2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide
CID 20851898
5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 26345495
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate
CID 54069418
3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
CID 45177319

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide (CID 28810026) is 3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide is COCCn1cc(C(=O)NCC2(c3ccccc3)CCCC2)c(=O)c(C(=O)N(C)C2CCCCC2)c1.
What is the InChIKey of 3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide?
The InChIKey is QFUXGGPIHNZFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O4/c1-31(23-13-7-4-8-14-23)28(35)25-20-32(17-18-36-2)19-24(26(25)33)27(34)30-21-29(15-9-10-16-29)22-11-5-3-6-12-22/h3,5-6,11-12,19-20,23H,4,7-10,13-18,21H2,1-2H3,(H,30,34).
What are the key properties of 3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide?
3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide has a molecular weight of 493.65 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 28810026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).