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

C18H23N5O2 — CID 129339675

IUPAC1-[2-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one
SMILESNc1ccc(N[C@@H]2CCCN(C(=O)Cn3ccccc3=O)CC2)cn1
InChIInChI=1S/C18H23N5O2/c19-16-7-6-15(12-20-16)21-14-4-3-10-22(11-8-14)18(25)13-23-9-2-1-5-17(23)24/h1-2,5-7,9,12,14,21H,3-4,8,10-11,13H2,(H2,19,20)/t14-/m1/s1
InChIKeyOXYCJUYTKGVNRN-CQSZACIVSA-N
MW341.42 g/mol
LogP1.32
Rot. Bonds4

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

1-[2-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 129339675) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[2-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID129339675
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[2-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one
SMILESNc1ccc(N[C@@H]2CCCN(C(=O)Cn3ccccc3=O)CC2)cn1
InChIInChI=1S/C18H23N5O2/c19-16-7-6-15(12-20-16)21-14-4-3-10-22(11-8-14)18(25)13-23-9-2-1-5-17(23)24/h1-2,5-7,9,12,14,21H,3-4,8,10-11,13H2,(H2,19,20)/t14-/m1/s1
InChIKeyOXYCJUYTKGVNRN-CQSZACIVSA-N
XLogP1.32
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one
CID 129343155
1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone
CID 129343074
1-[(4S)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-(1,2-oxazol-3-yl)ethanone
CID 129339841
[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone
CID 129341877
N-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]benzamide
CID 24645620
[4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride
CID 128971315
5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride
CID 128995369
ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate
CID 78791788
5-N-(1-propylpiperidin-4-yl)pyridine-2,5-diamine
CID 54963421
1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one
CID 70767330
5-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
CID 128992386
(5S)-5-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 129343667

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one (CID 129339675) is 1-[2-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one is Nc1ccc(N[C@@H]2CCCN(C(=O)Cn3ccccc3=O)CC2)cn1.
What is the InChIKey of 1-[2-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is OXYCJUYTKGVNRN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5O2/c19-16-7-6-15(12-20-16)21-14-4-3-10-22(11-8-14)18(25)13-23-9-2-1-5-17(23)24/h1-2,5-7,9,12,14,21H,3-4,8,10-11,13H2,(H2,19,20)/t14-/m1/s1.
What are the key properties of 1-[2-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one?
1-[2-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 341.42 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 129339675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).