5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide

C22H35N3O3 — CID 26363662

IUPAC5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)Cn1cc(C(=O)NC(C)C)c(=O)c(C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C22H35N3O3/c1-15(2)12-25-13-18(21(27)23-16(3)4)20(26)19(14-25)22(28)24-17-10-8-6-5-7-9-11-17/h13-17H,5-12H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyKCWGXJZKFBCODA-UHFFFAOYSA-N
MW389.54 g/mol
LogP3.49
Rot. Bonds6

About 5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide

5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 26363662) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID26363662
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)Cn1cc(C(=O)NC(C)C)c(=O)c(C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C22H35N3O3/c1-15(2)12-25-13-18(21(27)23-16(3)4)20(26)19(14-25)22(28)24-17-10-8-6-5-7-9-11-17/h13-17H,5-12H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyKCWGXJZKFBCODA-UHFFFAOYSA-N
XLogP3.49
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 45252429
N-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide
CID 42463229
3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
CID 45177319
3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 26324517
5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide
CID 45249695
5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide
CID 45203643
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-methylpropyl)-4-oxo-N-propan-2-ylpyridine-3-carboxamide
CID 42453163
dimethyl 1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxylate
CID 17339213
3-N-cyclooctyl-4-oxo-5-N-(2-propan-2-yloxyethyl)-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 26343326
5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 42209955
5-bromo-N-cycloheptyl-1-methyl-4-oxopyridine-3-carboxamide
CID 138047443
5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide
CID 26341265

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide (CID 26363662) is 5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide is CC(C)Cn1cc(C(=O)NC(C)C)c(=O)c(C(=O)NC2CCCCCCC2)c1.
What is the InChIKey of 5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is KCWGXJZKFBCODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-15(2)12-25-13-18(21(27)23-16(3)4)20(26)19(14-25)22(28)24-17-10-8-6-5-7-9-11-17/h13-17H,5-12H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of 5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?
5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 389.54 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 26363662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).