7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;ethane

C13H21N3O — CID 164917695

IUPAC7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;ethane
SMILESCC.CCc1cnc2c(c1)CCC(N)C(=O)N2
InChIInChI=1S/C11H15N3O.C2H6/c1-2-7-5-8-3-4-9(12)11(15)14-10(8)13-6-7;1-2/h5-6,9H,2-4,12H2,1H3,(H,13,14,15);1-2H3
InChIKeyNPJBSYGNBVYRAM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.88
Rot. Bonds1

About 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;ethane

7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;ethane (PubChem CID 164917695) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;ethane.

Molecular Properties

Compound Name7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;ethane
PubChem CID164917695
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;ethane
SMILESCC.CCc1cnc2c(c1)CCC(N)C(=O)N2
InChIInChI=1S/C11H15N3O.C2H6/c1-2-7-5-8-3-4-9(12)11(15)14-10(8)13-6-7;1-2/h5-6,9H,2-4,12H2,1H3,(H,13,14,15);1-2H3
InChIKeyNPJBSYGNBVYRAM-UHFFFAOYSA-N
XLogP1.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927
2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
CID 6612586
N-(3-methyl-2-pyridinyl)-2,2-diphenylacetamide
CID 4450213
4-phenyl-N-(2-pyridinyl)butanamide
CID 836507
N-(5-methylpyridin-2-yl)-4-phenylbutanamide
CID 838086
2-phenyl-N-(2-pyridinyl)butanamide
CID 2852795
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18107076
N-{2-methyl-1-[(pyridin-2-ylamino)carbonyl]propyl}cyclohexanecarboxamide
CID 3239768
4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]cyclohexane-1-carboxamide
CID 4058680
2-phenyl-N-pyridin-2-ylpropanamide
CID 3107581
2-(methylamino)-N-(4-methylpyridin-2-yl)acetamide
CID 28399469
N-(5-Phenylacetylamino-pyridin-2-yl)-propionamide
CID 646148

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;ethane?
The IUPAC name of 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;ethane (CID 164917695) is 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;ethane.
What is the SMILES notation for 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;ethane?
The canonical SMILES for 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;ethane is CC.CCc1cnc2c(c1)CCC(N)C(=O)N2.
What is the InChIKey of 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;ethane?
The InChIKey is NPJBSYGNBVYRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.C2H6/c1-2-7-5-8-3-4-9(12)11(15)14-10(8)13-6-7;1-2/h5-6,9H,2-4,12H2,1H3,(H,13,14,15);1-2H3.
What are the key properties of 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;ethane?
7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;ethane has a molecular weight of 235.33 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;ethane is sourced from PubChem (CID 164917695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).