4-(6-oxo-1H-pyridin-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]benzamide

C21H25N3O3 — CID 119060191

IUPAC4-(6-oxo-1H-pyridin-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]benzamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1ccc(-c2cccc(=O)[nH]2)cc1
InChIInChI=1S/C21H25N3O3/c25-20-6-4-5-17(22-20)15-7-9-16(10-8-15)21(26)23-18-13-27-14-19(18)24-11-2-1-3-12-24/h4-10,18-19H,1-3,11-14H2,(H,22,25)(H,23,26)/t18-,19-/m0/s1
InChIKeyBDKCJGWHGOUZTH-OALUTQOASA-N
MW367.45 g/mol
LogP2.03
Rot. Bonds4

About 4-(6-oxo-1H-pyridin-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]benzamide

4-(6-oxo-1H-pyridin-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]benzamide (PubChem CID 119060191) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-(6-oxo-1H-pyridin-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]benzamide.

Molecular Properties

Compound Name4-(6-oxo-1H-pyridin-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]benzamide
PubChem CID119060191
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-(6-oxo-1H-pyridin-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]benzamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1ccc(-c2cccc(=O)[nH]2)cc1
InChIInChI=1S/C21H25N3O3/c25-20-6-4-5-17(22-20)15-7-9-16(10-8-15)21(26)23-18-13-27-14-19(18)24-11-2-1-3-12-24/h4-10,18-19H,1-3,11-14H2,(H,22,25)(H,23,26)/t18-,19-/m0/s1
InChIKeyBDKCJGWHGOUZTH-OALUTQOASA-N
XLogP2.03
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(6-oxo-1H-pyridin-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]benzamide with MolForge

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Related Compounds

6-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-3-carboxamide
CID 133260544
4-(1,3-benzoxazol-5-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 119067501
6-cyano-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyridine-3-carboxamide
CID 91843333
2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 118781498
3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 119070601
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 107362894
5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide
CID 118790643
3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid
CID 118772644
1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide
CID 118788686
3-pyrazolo[1,5-a]pyridin-3-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 122570409
5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 122559298
5-acetyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]thiophene-2-carboxamide
CID 91789169

Frequently Asked Questions

What is the IUPAC name of 4-(6-oxo-1H-pyridin-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]benzamide?
The IUPAC name of 4-(6-oxo-1H-pyridin-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]benzamide (CID 119060191) is 4-(6-oxo-1H-pyridin-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]benzamide.
What is the SMILES notation for 4-(6-oxo-1H-pyridin-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]benzamide?
The canonical SMILES for 4-(6-oxo-1H-pyridin-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]benzamide is O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1ccc(-c2cccc(=O)[nH]2)cc1.
What is the InChIKey of 4-(6-oxo-1H-pyridin-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]benzamide?
The InChIKey is BDKCJGWHGOUZTH-OALUTQOASA-N. The full InChI is InChI=1S/C21H25N3O3/c25-20-6-4-5-17(22-20)15-7-9-16(10-8-15)21(26)23-18-13-27-14-19(18)24-11-2-1-3-12-24/h4-10,18-19H,1-3,11-14H2,(H,22,25)(H,23,26)/t18-,19-/m0/s1.
What are the key properties of 4-(6-oxo-1H-pyridin-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]benzamide?
4-(6-oxo-1H-pyridin-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxo-1H-pyridin-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]benzamide is sourced from PubChem (CID 119060191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).