2-(3-hydroxy-2-oxoazepan-1-yl)-N-(2-phenyl-4-pyridinyl)acetamide

C19H21N3O3 — CID 131962297

IUPAC2-(3-hydroxy-2-oxoazepan-1-yl)-N-(2-phenyl-4-pyridinyl)acetamide
SMILESO=C(CN1CCCCC(O)C1=O)Nc1ccnc(-c2ccccc2)c1
InChIInChI=1S/C19H21N3O3/c23-17-8-4-5-11-22(19(17)25)13-18(24)21-15-9-10-20-16(12-15)14-6-2-1-3-7-14/h1-3,6-7,9-10,12,17,23H,4-5,8,11,13H2,(H,20,21,24)
InChIKeyAZAOPGVPWHJOOQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.06
Rot. Bonds4

About 2-(3-hydroxy-2-oxoazepan-1-yl)-N-(2-phenyl-4-pyridinyl)acetamide

2-(3-hydroxy-2-oxoazepan-1-yl)-N-(2-phenyl-4-pyridinyl)acetamide (PubChem CID 131962297) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(3-hydroxy-2-oxoazepan-1-yl)-N-(2-phenyl-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-oxoazepan-1-yl)-N-(2-phenyl-4-pyridinyl)acetamide
PubChem CID131962297
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-(3-hydroxy-2-oxoazepan-1-yl)-N-(2-phenyl-4-pyridinyl)acetamide
SMILESO=C(CN1CCCCC(O)C1=O)Nc1ccnc(-c2ccccc2)c1
InChIInChI=1S/C19H21N3O3/c23-17-8-4-5-11-22(19(17)25)13-18(24)21-15-9-10-20-16(12-15)14-6-2-1-3-7-14/h1-3,6-7,9-10,12,17,23H,4-5,8,11,13H2,(H,20,21,24)
InChIKeyAZAOPGVPWHJOOQ-UHFFFAOYSA-N
XLogP2.06
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-(2-phenyl-4-pyridinyl)urea
CID 138054189
N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 119877635
1-(1,2-dimethylpiperidin-3-yl)-3-(2-phenyl-4-pyridinyl)urea
CID 167925516
2-[4-[4-[4-(cyclopentanecarbonylamino)-2-pyridinyl]phenyl]phenyl]acetic acid
CID 71266533
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(6-phenyl-3-pyridinyl)acetamide
CID 122652940
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide
CID 118174109
2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 71888287
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-phenylpyrimidin-5-yl)acetamide
CID 134009215
N-[1-[2-[3-(aminomethyl)anilino]-2-oxoethyl]-2-oxoazepan-3-yl]-3-(4-phenylphenyl)prop-2-enamide
CID 74011862
N-[1-[2-[3-(aminomethyl)anilino]-2-oxoethyl]-2-oxoazepan-3-yl]-5-phenylpentanamide
CID 22945990
N-(4,6-diphenylpyrimidin-2-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 92727503
1-(2-phenyl-4-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea
CID 167765309

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-oxoazepan-1-yl)-N-(2-phenyl-4-pyridinyl)acetamide?
The IUPAC name of 2-(3-hydroxy-2-oxoazepan-1-yl)-N-(2-phenyl-4-pyridinyl)acetamide (CID 131962297) is 2-(3-hydroxy-2-oxoazepan-1-yl)-N-(2-phenyl-4-pyridinyl)acetamide.
What is the SMILES notation for 2-(3-hydroxy-2-oxoazepan-1-yl)-N-(2-phenyl-4-pyridinyl)acetamide?
The canonical SMILES for 2-(3-hydroxy-2-oxoazepan-1-yl)-N-(2-phenyl-4-pyridinyl)acetamide is O=C(CN1CCCCC(O)C1=O)Nc1ccnc(-c2ccccc2)c1.
What is the InChIKey of 2-(3-hydroxy-2-oxoazepan-1-yl)-N-(2-phenyl-4-pyridinyl)acetamide?
The InChIKey is AZAOPGVPWHJOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-17-8-4-5-11-22(19(17)25)13-18(24)21-15-9-10-20-16(12-15)14-6-2-1-3-7-14/h1-3,6-7,9-10,12,17,23H,4-5,8,11,13H2,(H,20,21,24).
What are the key properties of 2-(3-hydroxy-2-oxoazepan-1-yl)-N-(2-phenyl-4-pyridinyl)acetamide?
2-(3-hydroxy-2-oxoazepan-1-yl)-N-(2-phenyl-4-pyridinyl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-oxoazepan-1-yl)-N-(2-phenyl-4-pyridinyl)acetamide is sourced from PubChem (CID 131962297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).