N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

C22H33N3O3 — CID 3239666

IUPACN-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)c1ccccn1
InChIInChI=1S/C22H33N3O3/c1-3-22(2,21(27)24-17-10-5-4-6-11-17)25(16-18-12-9-15-28-18)20(26)19-13-7-8-14-23-19/h7-8,13-14,17-18H,3-6,9-12,15-16H2,1-2H3,(H,24,27)
InChIKeyFRGQLPMXKLSPJY-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.32
Rot. Bonds7

About N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 3239666) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID3239666
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)c1ccccn1
InChIInChI=1S/C22H33N3O3/c1-3-22(2,21(27)24-17-10-5-4-6-11-17)25(16-18-12-9-15-28-18)20(26)19-13-7-8-14-23-19/h7-8,13-14,17-18H,3-6,9-12,15-16H2,1-2H3,(H,24,27)
InChIKeyFRGQLPMXKLSPJY-UHFFFAOYSA-N
XLogP3.32
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (CID 3239666) is N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is CCC(C)(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)c1ccccn1.
What is the InChIKey of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is FRGQLPMXKLSPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-3-22(2,21(27)24-17-10-5-4-6-11-17)25(16-18-12-9-15-28-18)20(26)19-13-7-8-14-23-19/h7-8,13-14,17-18H,3-6,9-12,15-16H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 3239666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).