3-(azocan-1-yl)-N-(1-pyridin-4-ylpropan-2-yl)propanamide

C18H29N3O — CID 46998770

IUPAC3-(azocan-1-yl)-N-(1-pyridin-4-ylpropan-2-yl)propanamide
SMILESCC(Cc1ccncc1)NC(=O)CCN1CCCCCCC1
InChIInChI=1S/C18H29N3O/c1-16(15-17-7-10-19-11-8-17)20-18(22)9-14-21-12-5-3-2-4-6-13-21/h7-8,10-11,16H,2-6,9,12-15H2,1H3,(H,20,22)
InChIKeyIRHYOALCBNFIIU-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.79
Rot. Bonds6

About 3-(azocan-1-yl)-N-(1-pyridin-4-ylpropan-2-yl)propanamide

3-(azocan-1-yl)-N-(1-pyridin-4-ylpropan-2-yl)propanamide (PubChem CID 46998770) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-(azocan-1-yl)-N-(1-pyridin-4-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(azocan-1-yl)-N-(1-pyridin-4-ylpropan-2-yl)propanamide
PubChem CID46998770
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-(azocan-1-yl)-N-(1-pyridin-4-ylpropan-2-yl)propanamide
SMILESCC(Cc1ccncc1)NC(=O)CCN1CCCCCCC1
InChIInChI=1S/C18H29N3O/c1-16(15-17-7-10-19-11-8-17)20-18(22)9-14-21-12-5-3-2-4-6-13-21/h7-8,10-11,16H,2-6,9,12-15H2,1H3,(H,20,22)
InChIKeyIRHYOALCBNFIIU-UHFFFAOYSA-N
XLogP2.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-pyrrolidin-1-ylpropanamide
CID 107861397
1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide
CID 138044187
3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide
CID 124755036
2-[3-(azepan-1-yl)propanoylamino]-4-methylpentanoic acid
CID 52983772
N'-butan-2-yl-3-piperidin-1-ylpropanehydrazide
CID 4143849
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
N-methyl-3-(1-pyridin-4-ylpropan-2-ylamino)propanamide
CID 115889935
3-[3-(azepan-1-yl)propanoylamino]-3-phenylpropanoic acid
CID 53215587
3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82329915
4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide
CID 92556031

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-N-(1-pyridin-4-ylpropan-2-yl)propanamide?
The IUPAC name of 3-(azocan-1-yl)-N-(1-pyridin-4-ylpropan-2-yl)propanamide (CID 46998770) is 3-(azocan-1-yl)-N-(1-pyridin-4-ylpropan-2-yl)propanamide.
What is the SMILES notation for 3-(azocan-1-yl)-N-(1-pyridin-4-ylpropan-2-yl)propanamide?
The canonical SMILES for 3-(azocan-1-yl)-N-(1-pyridin-4-ylpropan-2-yl)propanamide is CC(Cc1ccncc1)NC(=O)CCN1CCCCCCC1.
What is the InChIKey of 3-(azocan-1-yl)-N-(1-pyridin-4-ylpropan-2-yl)propanamide?
The InChIKey is IRHYOALCBNFIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-16(15-17-7-10-19-11-8-17)20-18(22)9-14-21-12-5-3-2-4-6-13-21/h7-8,10-11,16H,2-6,9,12-15H2,1H3,(H,20,22).
What are the key properties of 3-(azocan-1-yl)-N-(1-pyridin-4-ylpropan-2-yl)propanamide?
3-(azocan-1-yl)-N-(1-pyridin-4-ylpropan-2-yl)propanamide has a molecular weight of 303.45 g/mol, XLogP of 2.79, 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-(1-pyridin-4-ylpropan-2-yl)propanamide is sourced from PubChem (CID 46998770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).