4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one

C12H16N4O2 — CID 102892425

IUPAC4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)c2cc(N)ccn2)CC1=O
InChIInChI=1S/C12H16N4O2/c1-15-5-2-6-16(8-11(15)17)12(18)10-7-9(13)3-4-14-10/h3-4,7H,2,5-6,8H2,1H3,(H2,13,14)
InChIKeyKZMCKHKXXLBGBG-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.03
Rot. Bonds1

About 4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one

4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102892425) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one
PubChem CID102892425
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)c2cc(N)ccn2)CC1=O
InChIInChI=1S/C12H16N4O2/c1-15-5-2-6-16(8-11(15)17)12(18)10-7-9(13)3-4-14-10/h3-4,7H,2,5-6,8H2,1H3,(H2,13,14)
InChIKeyKZMCKHKXXLBGBG-UHFFFAOYSA-N
XLogP-0.03
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)pyridine-2-carboxylic acid
CID 102891640
4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102892680
[5-(4-aminopyridine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-pyrrolidin-1-ylmethanone
CID 50951583
4-(5-amino-1-benzofuran-2-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102888084
4-(2-amino-5-methylbenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888140
4-(2-chloropyridine-3-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102848032
4-(2-amino-6-methylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102892502
4-(3-amino-4-fluorobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888114
4-(3-aminothieno[3,2-b]pyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102893030
(4-amino-2-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745598
(4-amino-2-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114218720
4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one
CID 102887615

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one (CID 102892425) is 4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one is CN1CCCN(C(=O)c2cc(N)ccn2)CC1=O.
What is the InChIKey of 4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is KZMCKHKXXLBGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-15-5-2-6-16(8-11(15)17)12(18)10-7-9(13)3-4-14-10/h3-4,7H,2,5-6,8H2,1H3,(H2,13,14).
What are the key properties of 4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one?
4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 248.29 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102892425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).