3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide

C18H29N3O — CID 124755036

IUPAC3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide
SMILESCc1ccc([C@H](C)NC(=O)CCN2CCCCCCC2)cn1
InChIInChI=1S/C18H29N3O/c1-15-8-9-17(14-19-15)16(2)20-18(22)10-13-21-11-6-4-3-5-7-12-21/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyPMNHXFFUYYZXFH-INIZCTEOSA-N
MW303.45 g/mol
LogP3.22
Rot. Bonds5

About 3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide

3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide (PubChem CID 124755036) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide
PubChem CID124755036
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide
SMILESCc1ccc([C@H](C)NC(=O)CCN2CCCCCCC2)cn1
InChIInChI=1S/C18H29N3O/c1-15-8-9-17(14-19-15)16(2)20-18(22)10-13-21-11-6-4-3-5-7-12-21/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyPMNHXFFUYYZXFH-INIZCTEOSA-N
XLogP3.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(azepan-1-yl)propyl]-1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]urea
CID 125439942
3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158462
3-(azocan-1-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158460
N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]acetamide
CID 100987523
3-(azepan-1-yl)-N-[(1S)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]propanamide
CID 125175106
N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-2-azaspiro[4.6]undecane-2-carboxamide
CID 126427038
3-(4-methylpiperazin-1-yl)-N-[1-(5-methyl-2-pyridinyl)ethyl]propanamide
CID 91788298
3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid
CID 104823824
3-(azocan-1-yl)-N-(1-pyridin-4-ylpropan-2-yl)propanamide
CID 46998770
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide
CID 124729607
N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24588722

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide?
The IUPAC name of 3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide (CID 124755036) is 3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide.
What is the SMILES notation for 3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide?
The canonical SMILES for 3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide is Cc1ccc([C@H](C)NC(=O)CCN2CCCCCCC2)cn1.
What is the InChIKey of 3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide?
The InChIKey is PMNHXFFUYYZXFH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H29N3O/c1-15-8-9-17(14-19-15)16(2)20-18(22)10-13-21-11-6-4-3-5-7-12-21/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of 3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide?
3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide has a molecular weight of 303.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide is sourced from PubChem (CID 124755036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).