4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one

C11H16N4O — CID 102887615

IUPAC4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(c2ccnc(N)c2)CC1=O
InChIInChI=1S/C11H16N4O/c1-14-5-2-6-15(8-11(14)16)9-3-4-13-10(12)7-9/h3-4,7H,2,5-6,8H2,1H3,(H2,12,13)
InChIKeyPHHCJQCKQDHZTI-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.33
Rot. Bonds1

About 4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one

4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102887615) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one
PubChem CID102887615
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(c2ccnc(N)c2)CC1=O
InChIInChI=1S/C11H16N4O/c1-14-5-2-6-15(8-11(14)16)9-3-4-13-10(12)7-9/h3-4,7H,2,5-6,8H2,1H3,(H2,12,13)
InChIKeyPHHCJQCKQDHZTI-UHFFFAOYSA-N
XLogP0.33
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

4-[2-(ethylamino)-4-pyridinyl]-1-methyl-1,4-diazepan-2-one
CID 102887827
4-(azepan-1-yl)pyridin-2-amine
CID 21059926
4-(4-amino-3-ethoxyphenyl)-1-methyl-1,4-diazepan-2-one
CID 102888311
4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-1-methyl-1,4-diazepan-2-one
CID 106748146
4-(3-amino-5-ethoxyphenyl)-1-methyl-1,4-diazepan-2-one
CID 102888295
4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102887852
4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102887980
methyl 2-amino-5-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzoate
CID 102891856
4-(2-amino-4-methylsulfonylphenyl)-1-methyl-1,4-diazepan-2-one
CID 102888267
4-(4-tert-butylphenyl)-1-methyl-1,4-diazepan-2-one
CID 117005369
4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102892425
2-methyl-4-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzenecarbothioamide
CID 102889113

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one (CID 102887615) is 4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one is CN1CCCN(c2ccnc(N)c2)CC1=O.
What is the InChIKey of 4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is PHHCJQCKQDHZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-14-5-2-6-15(8-11(14)16)9-3-4-13-10(12)7-9/h3-4,7H,2,5-6,8H2,1H3,(H2,12,13).
What are the key properties of 4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one?
4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 220.28 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102887615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).