(2S,4R)-N-benzhydryl-1-(naphthalen-2-ylmethyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide

C30H28N6O — CID 42538957

IUPAC(2S,4R)-N-benzhydryl-1-(naphthalen-2-ylmethyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccc2ccccc2c1
InChIInChI=1S/C30H28N6O/c37-30(32-29(24-10-3-1-4-11-24)25-12-5-2-6-13-25)28-18-27(36-21-31-33-34-36)20-35(28)19-22-15-16-23-9-7-8-14-26(23)17-22/h1-17,21,27-29H,18-20H2,(H,32,37)/t27-,28+/m1/s1
InChIKeyJSJFXIJBBFGFGQ-IZLXSDGUSA-N
MW488.60 g/mol
LogP4.55
Rot. Bonds7

About (2S,4R)-N-benzhydryl-1-(naphthalen-2-ylmethyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide

(2S,4R)-N-benzhydryl-1-(naphthalen-2-ylmethyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide (PubChem CID 42538957) has the molecular formula C30H28N6O and a molecular weight of 488.60 g/mol. Its IUPAC name is (2S,4R)-N-benzhydryl-1-(naphthalen-2-ylmethyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-benzhydryl-1-(naphthalen-2-ylmethyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
PubChem CID42538957
Molecular FormulaC30H28N6O
Molecular Weight488.60 g/mol
Exact Mass488.23
IUPAC Name(2S,4R)-N-benzhydryl-1-(naphthalen-2-ylmethyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccc2ccccc2c1
InChIInChI=1S/C30H28N6O/c37-30(32-29(24-10-3-1-4-11-24)25-12-5-2-6-13-25)28-18-27(36-21-31-33-34-36)20-35(28)19-22-15-16-23-9-7-8-14-26(23)17-22/h1-17,21,27-29H,18-20H2,(H,32,37)/t27-,28+/m1/s1
InChIKeyJSJFXIJBBFGFGQ-IZLXSDGUSA-N
XLogP4.55
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4R)-N-benzhydryl-1-[(4-methoxynaphthalen-1-yl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
CID 45185145
(2S,4S)-1-[(3-phenoxyphenyl)methyl]-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 26338271
methyl 1-[(3R,5S)-5-(benzhydrylcarbamoyl)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxylate
CID 45183877
(2S,4R)-N-[(2-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
CID 26342872
azepan-1-yl-[(2S,4R)-1-[(4-phenylphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidin-2-yl]methanone
CID 26361322
methyl 1-[(3R,5S)-5-(benzhydrylcarbamoyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]triazole-4-carboxylate
CID 42162470
methyl 1-[(3R,5S)-5-(benzhydrylcarbamoyl)-1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-3-yl]triazole-4-carboxylate
CID 45207428
(2S,4R)-N-[(4-methylphenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
CID 42407429
(2S,4S)-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
CID 26363313
(2S,4S)-N-[2-(2-methoxyphenyl)ethyl]-1-[[4-(2-methylphenyl)phenyl]methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
CID 26333159
(2S,4R)-4-[(2,4-difluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 118758712
N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 42696103

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-benzhydryl-1-(naphthalen-2-ylmethyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-benzhydryl-1-(naphthalen-2-ylmethyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide (CID 42538957) is (2S,4R)-N-benzhydryl-1-(naphthalen-2-ylmethyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-benzhydryl-1-(naphthalen-2-ylmethyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-benzhydryl-1-(naphthalen-2-ylmethyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccc2ccccc2c1.
What is the InChIKey of (2S,4R)-N-benzhydryl-1-(naphthalen-2-ylmethyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
The InChIKey is JSJFXIJBBFGFGQ-IZLXSDGUSA-N. The full InChI is InChI=1S/C30H28N6O/c37-30(32-29(24-10-3-1-4-11-24)25-12-5-2-6-13-25)28-18-27(36-21-31-33-34-36)20-35(28)19-22-15-16-23-9-7-8-14-26(23)17-22/h1-17,21,27-29H,18-20H2,(H,32,37)/t27-,28+/m1/s1.
What are the key properties of (2S,4R)-N-benzhydryl-1-(naphthalen-2-ylmethyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
(2S,4R)-N-benzhydryl-1-(naphthalen-2-ylmethyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide has a molecular weight of 488.60 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-benzhydryl-1-(naphthalen-2-ylmethyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42538957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).