6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide

C21H21N5O3 — CID 97345604

IUPAC6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)nc1
InChIInChI=1S/C21H21N5O3/c22-18(27)15-10-11-16(23-13-15)21(28)26-12-6-2-5-9-17(26)19-24-20(29-25-19)14-7-3-1-4-8-14/h1,3-4,7-8,10-11,13,17H,2,5-6,9,12H2,(H2,22,27)/t17-/m0/s1
InChIKeyUSILWCUPLMRSKH-KRWDZBQOSA-N
MW391.43 g/mol
LogP2.99
Rot. Bonds4

About 6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide

6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide (PubChem CID 97345604) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide
PubChem CID97345604
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)nc1
InChIInChI=1S/C21H21N5O3/c22-18(27)15-10-11-16(23-13-15)21(28)26-12-6-2-5-9-17(26)19-24-20(29-25-19)14-7-3-1-4-8-14/h1,3-4,7-8,10-11,13,17H,2,5-6,9,12H2,(H2,22,27)/t17-/m0/s1
InChIKeyUSILWCUPLMRSKH-KRWDZBQOSA-N
XLogP2.99
TPSA115.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide with MolForge

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Related Compounds

1-methyl-5-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyrrole-3-carboxamide
CID 167859394
6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide
CID 95042437
1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 119137717
1-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-2-propylsulfonylethanone
CID 97345557
1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione
CID 97345599
(6-methoxy-2-pyridinyl)-[(2R)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]methanone
CID 97346113
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 97345421
[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone
CID 97345487
[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone
CID 166188792
2-(2-methoxy-4-methylphenoxy)-1-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 99782210
(2-ethyl-1,3-thiazol-5-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474979
[6-(dimethylamino)-3-pyridinyl]-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345379

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide (CID 97345604) is 6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide is NC(=O)c1ccc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)nc1.
What is the InChIKey of 6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is USILWCUPLMRSKH-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H21N5O3/c22-18(27)15-10-11-16(23-13-15)21(28)26-12-6-2-5-9-17(26)19-24-20(29-25-19)14-7-3-1-4-8-14/h1,3-4,7-8,10-11,13,17H,2,5-6,9,12H2,(H2,22,27)/t17-/m0/s1.
What are the key properties of 6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide?
6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 97345604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).