N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-3-[(3S)-oxolan-3-yl]benzamide

C17H17ClN2O3 — CID 125136007

IUPACN-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-3-[(3S)-oxolan-3-yl]benzamide
SMILESCn1cc(NC(=O)c2cccc([C@@H]3CCOC3)c2)cc(Cl)c1=O
InChIInChI=1S/C17H17ClN2O3/c1-20-9-14(8-15(18)17(20)22)19-16(21)12-4-2-3-11(7-12)13-5-6-23-10-13/h2-4,7-9,13H,5-6,10H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyYUBAERACJYNBSR-CYBMUJFWSA-N
MW332.79 g/mol
LogP2.79
Rot. Bonds3

About N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-3-[(3S)-oxolan-3-yl]benzamide

N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-3-[(3S)-oxolan-3-yl]benzamide (PubChem CID 125136007) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-3-[(3S)-oxolan-3-yl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-3-[(3S)-oxolan-3-yl]benzamide
PubChem CID125136007
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-3-[(3S)-oxolan-3-yl]benzamide
SMILESCn1cc(NC(=O)c2cccc([C@@H]3CCOC3)c2)cc(Cl)c1=O
InChIInChI=1S/C17H17ClN2O3/c1-20-9-14(8-15(18)17(20)22)19-16(21)12-4-2-3-11(7-12)13-5-6-23-10-13/h2-4,7-9,13H,5-6,10H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyYUBAERACJYNBSR-CYBMUJFWSA-N
XLogP2.79
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-3-[(3S)-oxolan-3-yl]benzamide?
The IUPAC name of N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-3-[(3S)-oxolan-3-yl]benzamide (CID 125136007) is N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-3-[(3S)-oxolan-3-yl]benzamide.
What is the SMILES notation for N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-3-[(3S)-oxolan-3-yl]benzamide?
The canonical SMILES for N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-3-[(3S)-oxolan-3-yl]benzamide is Cn1cc(NC(=O)c2cccc([C@@H]3CCOC3)c2)cc(Cl)c1=O.
What is the InChIKey of N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-3-[(3S)-oxolan-3-yl]benzamide?
The InChIKey is YUBAERACJYNBSR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-20-9-14(8-15(18)17(20)22)19-16(21)12-4-2-3-11(7-12)13-5-6-23-10-13/h2-4,7-9,13H,5-6,10H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-3-[(3S)-oxolan-3-yl]benzamide?
N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-3-[(3S)-oxolan-3-yl]benzamide has a molecular weight of 332.79 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-3-[(3S)-oxolan-3-yl]benzamide is sourced from PubChem (CID 125136007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).