N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxy-1-methyl-2-oxopyridine-4-carboxamide

C16H17BrN2O3 — CID 86730089

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCOc1c(C(=O)N[C@H](C)c2cccc(Br)c2)ccn(C)c1=O
InChIInChI=1S/C16H17BrN2O3/c1-10(11-5-4-6-12(17)9-11)18-15(20)13-7-8-19(2)16(21)14(13)22-3/h4-10H,1-3H3,(H,18,20)/t10-/m1/s1
InChIKeyVIDGPOTWUBTHEZ-SNVBAGLBSA-N
MW365.23 g/mol
LogP2.65
Rot. Bonds4

About N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxy-1-methyl-2-oxopyridine-4-carboxamide

N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxy-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 86730089) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxy-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxy-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID86730089
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCOc1c(C(=O)N[C@H](C)c2cccc(Br)c2)ccn(C)c1=O
InChIInChI=1S/C16H17BrN2O3/c1-10(11-5-4-6-12(17)9-11)18-15(20)13-7-8-19(2)16(21)14(13)22-3/h4-10H,1-3H3,(H,18,20)/t10-/m1/s1
InChIKeyVIDGPOTWUBTHEZ-SNVBAGLBSA-N
XLogP2.65
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-methyl-2-oxo-N-[1-[3-[2-(trifluoromethyl)anilino]phenyl]ethyl]pyridine-4-carboxamide
CID 90342928
N-[1-(3-bromophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46599431
2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
CID 61021681
2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide
CID 107987920
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide
CID 28558105
4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 78987865
4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide
CID 78924714
N-[1-(3-bromophenyl)ethyl]-3-chloro-4,5-dimethoxybenzamide
CID 43059210
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 107951327

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxy-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxy-1-methyl-2-oxopyridine-4-carboxamide (CID 86730089) is N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxy-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxy-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxy-1-methyl-2-oxopyridine-4-carboxamide is COc1c(C(=O)N[C@H](C)c2cccc(Br)c2)ccn(C)c1=O.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxy-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is VIDGPOTWUBTHEZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-10(11-5-4-6-12(17)9-11)18-15(20)13-7-8-19(2)16(21)14(13)22-3/h4-10H,1-3H3,(H,18,20)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxy-1-methyl-2-oxopyridine-4-carboxamide?
N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxy-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxy-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 86730089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).