N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide

C16H18N2O3 — CID 97313653

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C16H18N2O3/c1-11(13-6-4-5-7-14(13)21-3)17-16(20)12-8-9-15(19)18(2)10-12/h4-11H,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyPXGUYJBFAFXUOY-NSHDSACASA-N
MW286.33 g/mol
LogP1.88
Rot. Bonds4

About N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 97313653) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID97313653
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C16H18N2O3/c1-11(13-6-4-5-7-14(13)21-3)17-16(20)12-8-9-15(19)18(2)10-12/h4-11H,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyPXGUYJBFAFXUOY-NSHDSACASA-N
XLogP1.88
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 75461927
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide
CID 26618887
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665
4-(chloromethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81389735
4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 7719116
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 25496336
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 42904939
6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 26618870
3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 7719108
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 26882953
4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81390616

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 97313653) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide is COc1ccccc1[C@H](C)NC(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is PXGUYJBFAFXUOY-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(13-6-4-5-7-14(13)21-3)17-16(20)12-8-9-15(19)18(2)10-12/h4-11H,1-3H3,(H,17,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 97313653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).