2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(pyridin-2-ylmethyl)acetamide

C14H20N4O2 — CID 43565765

IUPAC2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(Cc1ccccn1)C(=O)C(=O)N1CCCNCC1
InChIInChI=1S/C14H20N4O2/c1-17(11-12-5-2-3-7-16-12)13(19)14(20)18-9-4-6-15-8-10-18/h2-3,5,7,15H,4,6,8-11H2,1H3
InChIKeySRJIKSMNQCCKNA-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.14
Rot. Bonds2

About 2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(pyridin-2-ylmethyl)acetamide

2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 43565765) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(pyridin-2-ylmethyl)acetamide
PubChem CID43565765
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(Cc1ccccn1)C(=O)C(=O)N1CCCNCC1
InChIInChI=1S/C14H20N4O2/c1-17(11-12-5-2-3-7-16-12)13(19)14(20)18-9-4-6-15-8-10-18/h2-3,5,7,15H,4,6,8-11H2,1H3
InChIKeySRJIKSMNQCCKNA-UHFFFAOYSA-N
XLogP-0.14
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085672
N-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 115590459
2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(2,2,2-trifluoroethyl)acetamide
CID 60890278
N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide
CID 61439635
N'-methyl-N'-(pyridin-2-ylmethyl)oxamide
CID 115192026
N-methyl-3-propyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 63130322
N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 54945083
N-methyl-2-piperidin-3-yl-N-(pyridin-2-ylmethyl)acetamide
CID 55105100
2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylsulfanylethyl)-2-oxoacetamide
CID 112663025
1-(1,4-diazepan-1-yl)-3-pyridin-2-ylpropan-2-one
CID 116565633
2-(1,4-diazepan-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-oxoacetamide
CID 54998306
1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47490267

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(pyridin-2-ylmethyl)acetamide (CID 43565765) is 2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(pyridin-2-ylmethyl)acetamide is CN(Cc1ccccn1)C(=O)C(=O)N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is SRJIKSMNQCCKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17(11-12-5-2-3-7-16-12)13(19)14(20)18-9-4-6-15-8-10-18/h2-3,5,7,15H,4,6,8-11H2,1H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(pyridin-2-ylmethyl)acetamide?
2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 276.34 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 43565765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).