2-(1,4-diazepan-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-oxoacetamide

C14H20N4O2 — CID 62307548

IUPAC2-(1,4-diazepan-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-oxoacetamide
SMILESCc1cccc(CNC(=O)C(=O)N2CCCNCC2)n1
InChIInChI=1S/C14H20N4O2/c1-11-4-2-5-12(17-11)10-16-13(19)14(20)18-8-3-6-15-7-9-18/h2,4-5,15H,3,6-10H2,1H3,(H,16,19)
InChIKeyCUBFOHPIXTWODO-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.17
Rot. Bonds2

About 2-(1,4-diazepan-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-oxoacetamide

2-(1,4-diazepan-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-oxoacetamide (PubChem CID 62307548) 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-[(6-methyl-2-pyridinyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-oxoacetamide
PubChem CID62307548
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-(1,4-diazepan-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-oxoacetamide
SMILESCc1cccc(CNC(=O)C(=O)N2CCCNCC2)n1
InChIInChI=1S/C14H20N4O2/c1-11-4-2-5-12(17-11)10-16-13(19)14(20)18-8-3-6-15-7-9-18/h2,4-5,15H,3,6-10H2,1H3,(H,16,19)
InChIKeyCUBFOHPIXTWODO-UHFFFAOYSA-N
XLogP-0.17
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43144985
2-(1,4-diazepan-1-yl)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide
CID 43145106
2-(1,4-diazepan-1-yl)-N-[(5-methylfuran-2-yl)methyl]-2-oxoacetamide
CID 62522873
2-(1,4-diazepan-1-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 43327503
N-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43327502
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859
2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)-2-oxoacetamide
CID 64526128
2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 43145090
3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411343
2-(1,4-diazepan-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 43327572
2-(1,4-diazepan-1-yl)-N-(4-methylphenyl)-2-oxoacetamide
CID 43327555
2-(1,4-diazepan-1-yl)-N-[2-(3-fluorophenyl)ethyl]-2-oxoacetamide
CID 43566464

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-oxoacetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-oxoacetamide (CID 62307548) is 2-(1,4-diazepan-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-oxoacetamide is Cc1cccc(CNC(=O)C(=O)N2CCCNCC2)n1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-oxoacetamide?
The InChIKey is CUBFOHPIXTWODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-11-4-2-5-12(17-11)10-16-13(19)14(20)18-8-3-6-15-7-9-18/h2,4-5,15H,3,6-10H2,1H3,(H,16,19).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-oxoacetamide?
2-(1,4-diazepan-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-oxoacetamide has a molecular weight of 276.34 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 62307548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).