5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide

C22H22N2O2 — CID 95053221

IUPAC5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1cccc(-c2cncc(C(=O)N[C@@H](C)c3ccc(C)cc3)c2)c1
InChIInChI=1S/C22H22N2O2/c1-15-7-9-17(10-8-15)16(2)24-22(25)20-11-19(13-23-14-20)18-5-4-6-21(12-18)26-3/h4-14,16H,1-3H3,(H,24,25)/t16-/m0/s1
InChIKeyYCKKUHZSSJFZAV-INIZCTEOSA-N
MW346.43 g/mol
LogP4.56
Rot. Bonds5

About 5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide

5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 95053221) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID95053221
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1cccc(-c2cncc(C(=O)N[C@@H](C)c3ccc(C)cc3)c2)c1
InChIInChI=1S/C22H22N2O2/c1-15-7-9-17(10-8-15)16(2)24-22(25)20-11-19(13-23-14-20)18-5-4-6-21(12-18)26-3/h4-14,16H,1-3H3,(H,24,25)/t16-/m0/s1
InChIKeyYCKKUHZSSJFZAV-INIZCTEOSA-N
XLogP4.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 58833104
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 95053218
3-N-(3-methoxyphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105396
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 94012593
5-(3-methoxyphenyl)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 10041572
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92882439
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 92773087
N-[(1S)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide
CID 92883224
N-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide
CID 92883223
3,5-dimethoxy-N-[(1R)-1-(4-phenylphenyl)ethyl]benzamide
CID 7948871
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide (CID 95053221) is 5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide is COc1cccc(-c2cncc(C(=O)N[C@@H](C)c3ccc(C)cc3)c2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is YCKKUHZSSJFZAV-INIZCTEOSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-7-9-17(10-8-15)16(2)24-22(25)20-11-19(13-23-14-20)18-5-4-6-21(12-18)26-3/h4-14,16H,1-3H3,(H,24,25)/t16-/m0/s1.
What are the key properties of 5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 95053221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).