1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one

C20H27N5O2 — CID 129343155

IUPAC1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCN(C)c1ccc(N[C@H]2CCCN(C(=O)Cn3ccccc3=O)CC2)cn1
InChIInChI=1S/C20H27N5O2/c1-23(2)18-9-8-17(14-21-18)22-16-6-5-12-24(13-10-16)20(27)15-25-11-4-3-7-19(25)26/h3-4,7-9,11,14,16,22H,5-6,10,12-13,15H2,1-2H3/t16-/m0/s1
InChIKeyVZQWAYSACQBMFP-INIZCTEOSA-N
MW369.47 g/mol
LogP1.80
Rot. Bonds5

About 1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one

1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 129343155) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID129343155
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCN(C)c1ccc(N[C@H]2CCCN(C(=O)Cn3ccccc3=O)CC2)cn1
InChIInChI=1S/C20H27N5O2/c1-23(2)18-9-8-17(14-21-18)22-16-6-5-12-24(13-10-16)20(27)15-25-11-4-3-7-19(25)26/h3-4,7-9,11,14,16,22H,5-6,10,12-13,15H2,1-2H3/t16-/m0/s1
InChIKeyVZQWAYSACQBMFP-INIZCTEOSA-N
XLogP1.80
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one with MolForge

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Related Compounds

1-[2-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one
CID 129339675
(5S)-5-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 129343667
1-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-(4-fluorophenoxy)ethanone
CID 124855086
1-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-thiophen-2-ylethanone
CID 129336174
(4S)-N-(cyclopropylmethyl)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide
CID 129330609
[6-(dimethylamino)-3-pyridinyl]-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]methanone
CID 129343902
(4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide
CID 129341635
1-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-4-methylsulfonylbutan-1-one
CID 129334031
1-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 129344512
[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone
CID 129333457
[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129339460
(2R)-1-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 129337849

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one (CID 129343155) is 1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one is CN(C)c1ccc(N[C@H]2CCCN(C(=O)Cn3ccccc3=O)CC2)cn1.
What is the InChIKey of 1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is VZQWAYSACQBMFP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-23(2)18-9-8-17(14-21-18)22-16-6-5-12-24(13-10-16)20(27)15-25-11-4-3-7-19(25)26/h3-4,7-9,11,14,16,22H,5-6,10,12-13,15H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one?
1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 369.47 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 129343155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).