2-chloro-N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-propan-2-yloxybenzamide

C17H19ClN2O3 — CID 154786751

IUPAC2-chloro-N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-propan-2-yloxybenzamide
SMILESCc1cc(CNC(=O)c2cccc(OC(C)C)c2Cl)cc(=O)[nH]1
InChIInChI=1S/C17H19ClN2O3/c1-10(2)23-14-6-4-5-13(16(14)18)17(22)19-9-12-7-11(3)20-15(21)8-12/h4-8,10H,9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyMEHIGPIFGPHWFA-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.05
Rot. Bonds5

About 2-chloro-N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-propan-2-yloxybenzamide

2-chloro-N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-propan-2-yloxybenzamide (PubChem CID 154786751) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-chloro-N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-propan-2-yloxybenzamide
PubChem CID154786751
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name2-chloro-N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-propan-2-yloxybenzamide
SMILESCc1cc(CNC(=O)c2cccc(OC(C)C)c2Cl)cc(=O)[nH]1
InChIInChI=1S/C17H19ClN2O3/c1-10(2)23-14-6-4-5-13(16(14)18)17(22)19-9-12-7-11(3)20-15(21)8-12/h4-8,10H,9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyMEHIGPIFGPHWFA-UHFFFAOYSA-N
XLogP3.05
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-6-oxo-1H-pyridin-4-yl)methylcarbamic acid
CID 89156508
2-chloro-N-[(2-oxopiperidin-3-yl)methyl]-3-propan-2-yloxybenzamide
CID 154785534
2,6-dichloro-N-[[4-(2-methyl-6-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide
CID 71150032
2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
CID 100531207
3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide
CID 115930610
2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748427
3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 167798638
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide
CID 86297319
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887
2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 4549485
3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 112575105
N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide
CID 4851105

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-propan-2-yloxybenzamide?
The IUPAC name of 2-chloro-N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-propan-2-yloxybenzamide (CID 154786751) is 2-chloro-N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for 2-chloro-N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for 2-chloro-N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-propan-2-yloxybenzamide is Cc1cc(CNC(=O)c2cccc(OC(C)C)c2Cl)cc(=O)[nH]1.
What is the InChIKey of 2-chloro-N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-propan-2-yloxybenzamide?
The InChIKey is MEHIGPIFGPHWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-10(2)23-14-6-4-5-13(16(14)18)17(22)19-9-12-7-11(3)20-15(21)8-12/h4-8,10H,9H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 2-chloro-N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-propan-2-yloxybenzamide?
2-chloro-N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-propan-2-yloxybenzamide has a molecular weight of 334.80 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 154786751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).