2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide

C16H26N4O2 — CID 74242130

IUPAC2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCCCN1CCN(CC(=O)NCc2ccccn2)CC(O)C1
InChIInChI=1S/C16H26N4O2/c1-2-7-19-8-9-20(12-15(21)11-19)13-16(22)18-10-14-5-3-4-6-17-14/h3-6,15,21H,2,7-13H2,1H3,(H,18,22)
InChIKeyYCWLNVNOPAHDOF-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.09
Rot. Bonds6

About 2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 74242130) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID74242130
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCCCN1CCN(CC(=O)NCc2ccccn2)CC(O)C1
InChIInChI=1S/C16H26N4O2/c1-2-7-19-8-9-20(12-15(21)11-19)13-16(22)18-10-14-5-3-4-6-17-14/h3-6,15,21H,2,7-13H2,1H3,(H,18,22)
InChIKeyYCWLNVNOPAHDOF-UHFFFAOYSA-N
XLogP0.09
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108999232
2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 97214559
2-(4-aminopiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 79333901
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46056291
2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 72894294
2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95311404
2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92626481
(3S,4S)-1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72870323
2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95626413
2-methyl-1-[(1-propylpyrrolidin-3-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110968006
3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 109017955

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 74242130) is 2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide is CCCN1CCN(CC(=O)NCc2ccccn2)CC(O)C1.
What is the InChIKey of 2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is YCWLNVNOPAHDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-2-7-19-8-9-20(12-15(21)11-19)13-16(22)18-10-14-5-3-4-6-17-14/h3-6,15,21H,2,7-13H2,1H3,(H,18,22).
What are the key properties of 2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 74242130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).