N-[5-[3-[cyclobutyl(cyclopentyl)amino]propanoylamino]-2-methyl-3-pyridinyl]-2-methylpropanamide

C22H34N4O2 — CID 170634276

IUPACN-[5-[3-[cyclobutyl(cyclopentyl)amino]propanoylamino]-2-methyl-3-pyridinyl]-2-methylpropanamide
SMILESCc1ncc(NC(=O)CCN(C2CCCC2)C2CCC2)cc1NC(=O)C(C)C
InChIInChI=1S/C22H34N4O2/c1-15(2)22(28)25-20-13-17(14-23-16(20)3)24-21(27)11-12-26(19-9-6-10-19)18-7-4-5-8-18/h13-15,18-19H,4-12H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyLGGNETUKXHAHEL-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.11
Rot. Bonds8

About N-[5-[3-[cyclobutyl(cyclopentyl)amino]propanoylamino]-2-methyl-3-pyridinyl]-2-methylpropanamide

N-[5-[3-[cyclobutyl(cyclopentyl)amino]propanoylamino]-2-methyl-3-pyridinyl]-2-methylpropanamide (PubChem CID 170634276) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[5-[3-[cyclobutyl(cyclopentyl)amino]propanoylamino]-2-methyl-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[3-[cyclobutyl(cyclopentyl)amino]propanoylamino]-2-methyl-3-pyridinyl]-2-methylpropanamide
PubChem CID170634276
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-[5-[3-[cyclobutyl(cyclopentyl)amino]propanoylamino]-2-methyl-3-pyridinyl]-2-methylpropanamide
SMILESCc1ncc(NC(=O)CCN(C2CCCC2)C2CCC2)cc1NC(=O)C(C)C
InChIInChI=1S/C22H34N4O2/c1-15(2)22(28)25-20-13-17(14-23-16(20)3)24-21(27)11-12-26(19-9-6-10-19)18-7-4-5-8-18/h13-15,18-19H,4-12H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyLGGNETUKXHAHEL-UHFFFAOYSA-N
XLogP4.11
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-5-methyl-3-pyridinyl)-3-cyclopentylpropanamide
CID 103730306
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113116612
N-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide
CID 18870146
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
N-(5-formamido-6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylacetamide
CID 167139836
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810
3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113116428
3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide
CID 113116671
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113116640
3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113116404
3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 113137508
3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113122707

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[cyclobutyl(cyclopentyl)amino]propanoylamino]-2-methyl-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[5-[3-[cyclobutyl(cyclopentyl)amino]propanoylamino]-2-methyl-3-pyridinyl]-2-methylpropanamide (CID 170634276) is N-[5-[3-[cyclobutyl(cyclopentyl)amino]propanoylamino]-2-methyl-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[3-[cyclobutyl(cyclopentyl)amino]propanoylamino]-2-methyl-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[5-[3-[cyclobutyl(cyclopentyl)amino]propanoylamino]-2-methyl-3-pyridinyl]-2-methylpropanamide is Cc1ncc(NC(=O)CCN(C2CCCC2)C2CCC2)cc1NC(=O)C(C)C.
What is the InChIKey of N-[5-[3-[cyclobutyl(cyclopentyl)amino]propanoylamino]-2-methyl-3-pyridinyl]-2-methylpropanamide?
The InChIKey is LGGNETUKXHAHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-15(2)22(28)25-20-13-17(14-23-16(20)3)24-21(27)11-12-26(19-9-6-10-19)18-7-4-5-8-18/h13-15,18-19H,4-12H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[5-[3-[cyclobutyl(cyclopentyl)amino]propanoylamino]-2-methyl-3-pyridinyl]-2-methylpropanamide?
N-[5-[3-[cyclobutyl(cyclopentyl)amino]propanoylamino]-2-methyl-3-pyridinyl]-2-methylpropanamide has a molecular weight of 386.54 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[cyclobutyl(cyclopentyl)amino]propanoylamino]-2-methyl-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 170634276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).