3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide

C19H31N3O — CID 125158462

IUPAC3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide
SMILESCC(C)[C@@H](NC(=O)CCN1CCCCCCC1)c1cccnc1
InChIInChI=1S/C19H31N3O/c1-16(2)19(17-9-8-11-20-15-17)21-18(23)10-14-22-12-6-4-3-5-7-13-22/h8-9,11,15-16,19H,3-7,10,12-14H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeyZXOIPEXEMJIWKQ-LJQANCHMSA-N
MW317.48 g/mol
LogP3.55
Rot. Bonds6

About 3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide

3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide (PubChem CID 125158462) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide.

Molecular Properties

Compound Name3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide
PubChem CID125158462
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide
SMILESCC(C)[C@@H](NC(=O)CCN1CCCCCCC1)c1cccnc1
InChIInChI=1S/C19H31N3O/c1-16(2)19(17-9-8-11-20-15-17)21-18(23)10-14-22-12-6-4-3-5-7-13-22/h8-9,11,15-16,19H,3-7,10,12-14H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeyZXOIPEXEMJIWKQ-LJQANCHMSA-N
XLogP3.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]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

3-(azocan-1-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158460
N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide
CID 125442514
3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide
CID 125167685
4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide
CID 118783705
N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 125164687
N-(2-methyl-1-pyridin-3-ylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 118773371
3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide
CID 124755036
3-(azocan-1-yl)-N-(1-pyridin-4-ylpropan-2-yl)propanamide
CID 46998770
N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide
CID 131945632
methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate
CID 117241306
3-[3-(azepan-1-yl)propanoylamino]-3-phenylpropanoic acid
CID 53215587
2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide
CID 125156538

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide?
The IUPAC name of 3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide (CID 125158462) is 3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide.
What is the SMILES notation for 3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide?
The canonical SMILES for 3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide is CC(C)[C@@H](NC(=O)CCN1CCCCCCC1)c1cccnc1.
What is the InChIKey of 3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide?
The InChIKey is ZXOIPEXEMJIWKQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H31N3O/c1-16(2)19(17-9-8-11-20-15-17)21-18(23)10-14-22-12-6-4-3-5-7-13-22/h8-9,11,15-16,19H,3-7,10,12-14H2,1-2H3,(H,21,23)/t19-/m1/s1.
What are the key properties of 3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide?
3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide has a molecular weight of 317.48 g/mol, XLogP of 3.55, 6 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-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide is sourced from PubChem (CID 125158462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).