2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide

C16H26N4O — CID 50969531

IUPAC2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide
SMILESCN1CCCN(CC(=O)NCCCc2cccnc2)CC1
InChIInChI=1S/C16H26N4O/c1-19-9-4-10-20(12-11-19)14-16(21)18-8-3-6-15-5-2-7-17-13-15/h2,5,7,13H,3-4,6,8-12,14H2,1H3,(H,18,21)
InChIKeyVNEVIAUNCTUQPP-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.77
Rot. Bonds6

About 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide

2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide (PubChem CID 50969531) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide
PubChem CID50969531
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide
SMILESCN1CCCN(CC(=O)NCCCc2cccnc2)CC1
InChIInChI=1S/C16H26N4O/c1-19-9-4-10-20(12-11-19)14-16(21)18-8-3-6-15-5-2-7-17-13-15/h2,5,7,13H,3-4,6,8-12,14H2,1H3,(H,18,21)
InChIKeyVNEVIAUNCTUQPP-UHFFFAOYSA-N
XLogP0.77
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43509649
2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide
CID 50949310
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
1-propyl-3-(3-pyridin-3-ylpropyl)urea
CID 110400279
3-methyl-N-(4-pyridin-3-ylbutyl)butanamide
CID 110661269
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110622335
3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 91761122
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-phenylpropyl)acetamide
CID 29477129
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294
2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide
CID 138589967
N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 95134605

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide (CID 50969531) is 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide is CN1CCCN(CC(=O)NCCCc2cccnc2)CC1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide?
The InChIKey is VNEVIAUNCTUQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19-9-4-10-20(12-11-19)14-16(21)18-8-3-6-15-5-2-7-17-13-15/h2,5,7,13H,3-4,6,8-12,14H2,1H3,(H,18,21).
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide?
2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-ylpropyl)acetamide is sourced from PubChem (CID 50969531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).