3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

C17H27N3O — CID 109014143

IUPAC3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCN(CCc1ccncc1)C(=O)CCNC1CCCCC1
InChIInChI=1S/C17H27N3O/c1-20(14-10-15-7-11-18-12-8-15)17(21)9-13-19-16-5-3-2-4-6-16/h7-8,11-12,16,19H,2-6,9-10,13-14H2,1H3
InChIKeyMAMROZPFOXBUAF-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.39
Rot. Bonds7

About 3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 109014143) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID109014143
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCN(CCc1ccncc1)C(=O)CCNC1CCCCC1
InChIInChI=1S/C17H27N3O/c1-20(14-10-15-7-11-18-12-8-15)17(21)9-13-19-16-5-3-2-4-6-16/h7-8,11-12,16,19H,2-6,9-10,13-14H2,1H3
InChIKeyMAMROZPFOXBUAF-UHFFFAOYSA-N
XLogP2.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948907
3-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 54943632
N-cyclohexyl-2-[methyl(2-pyridin-4-ylethyl)amino]acetamide
CID 108993655
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098676
N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109013454
2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109132403
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 109026028
3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113136290
ethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109001487
2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 90649983

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (CID 109014143) is 3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is CN(CCc1ccncc1)C(=O)CCNC1CCCCC1.
What is the InChIKey of 3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is MAMROZPFOXBUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20(14-10-15-7-11-18-12-8-15)17(21)9-13-19-16-5-3-2-4-6-16/h7-8,11-12,16,19H,2-6,9-10,13-14H2,1H3.
What are the key properties of 3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 109014143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).