N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide

C15H16N2O2 — CID 51474665

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1ccncc1
InChIInChI=1S/C15H16N2O2/c1-11(13-5-3-4-6-14(13)19-2)17-15(18)12-7-9-16-10-8-12/h3-11H,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyPJXABFALMKOCNM-NSHDSACASA-N
MW256.31 g/mol
LogP2.58
Rot. Bonds4

About N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide

N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 51474665) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID51474665
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1ccncc1
InChIInChI=1S/C15H16N2O2/c1-11(13-5-3-4-6-14(13)19-2)17-15(18)12-7-9-16-10-8-12/h3-11H,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyPJXABFALMKOCNM-NSHDSACASA-N
XLogP2.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 103753873
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide
CID 26618887
4-(chloromethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81389735
4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 7719116
3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 66462846
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 26618870
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 42904939
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 7719108
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide (CID 51474665) is N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide is COc1ccccc1[C@H](C)NC(=O)c1ccncc1.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is PJXABFALMKOCNM-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11(13-5-3-4-6-14(13)19-2)17-15(18)12-7-9-16-10-8-12/h3-11H,1-2H3,(H,17,18)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 51474665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).