4-[6-(dimethylamino)pyridine-3-carbonyl]-1,4-diazepan-2-one

C13H18N4O2 — CID 62896061

IUPAC4-[6-(dimethylamino)pyridine-3-carbonyl]-1,4-diazepan-2-one
SMILESCN(C)c1ccc(C(=O)N2CCCNC(=O)C2)cn1
InChIInChI=1S/C13H18N4O2/c1-16(2)11-5-4-10(8-15-11)13(19)17-7-3-6-14-12(18)9-17/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,18)
InChIKeyOOWPZLDPWDGJPS-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.11
Rot. Bonds2

About 4-[6-(dimethylamino)pyridine-3-carbonyl]-1,4-diazepan-2-one

4-[6-(dimethylamino)pyridine-3-carbonyl]-1,4-diazepan-2-one (PubChem CID 62896061) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[6-(dimethylamino)pyridine-3-carbonyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[6-(dimethylamino)pyridine-3-carbonyl]-1,4-diazepan-2-one
PubChem CID62896061
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-[6-(dimethylamino)pyridine-3-carbonyl]-1,4-diazepan-2-one
SMILESCN(C)c1ccc(C(=O)N2CCCNC(=O)C2)cn1
InChIInChI=1S/C13H18N4O2/c1-16(2)11-5-4-10(8-15-11)13(19)17-7-3-6-14-12(18)9-17/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,18)
InChIKeyOOWPZLDPWDGJPS-UHFFFAOYSA-N
XLogP0.11
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-methylpyridine-3-carbonyl)-1,4-diazepan-2-one
CID 62896067
[6-(dimethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78859312
4-(3,4-dimethylbenzoyl)-1,4-diazepan-2-one
CID 62896266
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 79410918
4-(pyrazine-2-carbonyl)-1,4-diazepan-2-one
CID 62896264
(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 81120843
4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one
CID 63362373
[6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 138378091
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261774
[4-(3-oxo-1,4-diazepane-1-carbonyl)phenyl]urea
CID 62896644
3,9-diazabicyclo[4.2.1]nonan-3-yl-[6-(dimethylamino)-3-pyridinyl]methanone
CID 119636994
[6-(dimethylamino)-3-pyridinyl]-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]methanone
CID 129343902

Frequently Asked Questions

What is the IUPAC name of 4-[6-(dimethylamino)pyridine-3-carbonyl]-1,4-diazepan-2-one?
The IUPAC name of 4-[6-(dimethylamino)pyridine-3-carbonyl]-1,4-diazepan-2-one (CID 62896061) is 4-[6-(dimethylamino)pyridine-3-carbonyl]-1,4-diazepan-2-one.
What is the SMILES notation for 4-[6-(dimethylamino)pyridine-3-carbonyl]-1,4-diazepan-2-one?
The canonical SMILES for 4-[6-(dimethylamino)pyridine-3-carbonyl]-1,4-diazepan-2-one is CN(C)c1ccc(C(=O)N2CCCNC(=O)C2)cn1.
What is the InChIKey of 4-[6-(dimethylamino)pyridine-3-carbonyl]-1,4-diazepan-2-one?
The InChIKey is OOWPZLDPWDGJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16(2)11-5-4-10(8-15-11)13(19)17-7-3-6-14-12(18)9-17/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,18).
What are the key properties of 4-[6-(dimethylamino)pyridine-3-carbonyl]-1,4-diazepan-2-one?
4-[6-(dimethylamino)pyridine-3-carbonyl]-1,4-diazepan-2-one has a molecular weight of 262.31 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dimethylamino)pyridine-3-carbonyl]-1,4-diazepan-2-one is sourced from PubChem (CID 62896061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).