(3S,4R)-N-(7-methylnaphthalen-1-yl)-4-phenylpyrrolidine-3-carboxamide

C22H22N2O — CID 158761407

IUPAC(3S,4R)-N-(7-methylnaphthalen-1-yl)-4-phenylpyrrolidine-3-carboxamide
SMILESCc1ccc2cccc(NC(=O)[C@@H]3CNC[C@H]3c3ccccc3)c2c1
InChIInChI=1S/C22H22N2O/c1-15-10-11-17-8-5-9-21(18(17)12-15)24-22(25)20-14-23-13-19(20)16-6-3-2-4-7-16/h2-12,19-20,23H,13-14H2,1H3,(H,24,25)/t19-,20+/m0/s1
InChIKeyIOSIWVKYYYEEOV-VQTJNVASSA-N
MW330.43 g/mol
LogP4.09
Rot. Bonds3

About (3S,4R)-N-(7-methylnaphthalen-1-yl)-4-phenylpyrrolidine-3-carboxamide

(3S,4R)-N-(7-methylnaphthalen-1-yl)-4-phenylpyrrolidine-3-carboxamide (PubChem CID 158761407) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is (3S,4R)-N-(7-methylnaphthalen-1-yl)-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-N-(7-methylnaphthalen-1-yl)-4-phenylpyrrolidine-3-carboxamide
PubChem CID158761407
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name(3S,4R)-N-(7-methylnaphthalen-1-yl)-4-phenylpyrrolidine-3-carboxamide
SMILESCc1ccc2cccc(NC(=O)[C@@H]3CNC[C@H]3c3ccccc3)c2c1
InChIInChI=1S/C22H22N2O/c1-15-10-11-17-8-5-9-21(18(17)12-15)24-22(25)20-14-23-13-19(20)16-6-3-2-4-7-16/h2-12,19-20,23H,13-14H2,1H3,(H,24,25)/t19-,20+/m0/s1
InChIKeyIOSIWVKYYYEEOV-VQTJNVASSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-N-isoquinolin-5-yl-4-phenylpyrrolidine-3-carboxamide
CID 156839400
(3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 175826709
(3R)-N-(1-chloroisoquinolin-5-yl)-4-phenylpyrrolidine-3-carboxamide
CID 166803737
(1R)-N-naphthalen-1-yl-2-phenylcyclobutane-1-carboxamide
CID 146488931
(3R,4S)-4-(4-fluorophenyl)-N-isoquinolin-5-ylpyrrolidine-3-carboxamide
CID 156839080
methyl (3R,4S)-4-(3-methylphenyl)pyrrolidine-3-carboxylate
CID 53484902
(3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 158843512
tert-butyl (4S)-3-(isoquinolin-5-ylcarbamoyl)-4-phenylpyrrolidine-1-carboxylate;(3S,4S)-N-isoquinolin-5-yl-4-phenylpyrrolidine-3-carboxamide;sulfane
CID 159288948
(3R,4S)-N-(5-methyl-2-phenoxyphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120935673
N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 115912203
N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 3346016
(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 7145905

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-(7-methylnaphthalen-1-yl)-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4R)-N-(7-methylnaphthalen-1-yl)-4-phenylpyrrolidine-3-carboxamide (CID 158761407) is (3S,4R)-N-(7-methylnaphthalen-1-yl)-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-N-(7-methylnaphthalen-1-yl)-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4R)-N-(7-methylnaphthalen-1-yl)-4-phenylpyrrolidine-3-carboxamide is Cc1ccc2cccc(NC(=O)[C@@H]3CNC[C@H]3c3ccccc3)c2c1.
What is the InChIKey of (3S,4R)-N-(7-methylnaphthalen-1-yl)-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is IOSIWVKYYYEEOV-VQTJNVASSA-N. The full InChI is InChI=1S/C22H22N2O/c1-15-10-11-17-8-5-9-21(18(17)12-15)24-22(25)20-14-23-13-19(20)16-6-3-2-4-7-16/h2-12,19-20,23H,13-14H2,1H3,(H,24,25)/t19-,20+/m0/s1.
What are the key properties of (3S,4R)-N-(7-methylnaphthalen-1-yl)-4-phenylpyrrolidine-3-carboxamide?
(3S,4R)-N-(7-methylnaphthalen-1-yl)-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-(7-methylnaphthalen-1-yl)-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 158761407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).