(2S,4R)-4-amino-N-ethyl-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

C19H24N4O — CID 70756398

IUPAC(2S,4R)-4-amino-N-ethyl-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C19H24N4O/c1-2-21-19(24)18-11-16(20)13-23(18)12-14-6-8-15(9-7-14)17-5-3-4-10-22-17/h3-10,16,18H,2,11-13,20H2,1H3,(H,21,24)/t16-,18+/m1/s1
InChIKeyYFOFIQWXYHPKIV-AEFFLSMTSA-N
MW324.43 g/mol
LogP1.79
Rot. Bonds5

About (2S,4R)-4-amino-N-ethyl-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-ethyl-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 70756398) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-ethyl-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-ethyl-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID70756398
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(2S,4R)-4-amino-N-ethyl-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C19H24N4O/c1-2-21-19(24)18-11-16(20)13-23(18)12-14-6-8-15(9-7-14)17-5-3-4-10-22-17/h3-10,16,18H,2,11-13,20H2,1H3,(H,21,24)/t16-,18+/m1/s1
InChIKeyYFOFIQWXYHPKIV-AEFFLSMTSA-N
XLogP1.79
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-amino-1-benzyl-N-ethylpyrrolidine-2-carboxamide
CID 118759074
(2S,4S)-4-amino-N-ethyl-1-[[2-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 56713290
(2S,4R)-4-amino-N-ethyl-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 56700703
(2S,4S)-4-amino-N-ethyl-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 56716883
(2S,4S)-4-amino-N-ethyl-1-(5-oxo-5-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 56706337
(2S,4S)-4-amino-1-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 118759681
(2S,4R)-1-[(2-amino-3-pyridinyl)methyl]-N-ethyl-4-[(2-propan-2-yloxyacetyl)amino]pyrrolidine-2-carboxamide
CID 72864213
(2S,4S)-1-[(4-chlorophenyl)methyl]-N-ethyl-4-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]pyrrolidine-2-carboxamide
CID 45222765
(2S,4R)-N-ethyl-1-(naphthalen-1-ylmethyl)-4-[(4-phenylphenyl)methylamino]pyrrolidine-2-carboxamide
CID 45228510
(2S,4S)-1-benzyl-4-[(2,5-dimethylphenyl)methylamino]-N-ethylpyrrolidine-2-carboxamide
CID 45220890
(2S,4S)-1-benzyl-N-ethyl-4-[(3-phenoxyphenyl)methylamino]pyrrolidine-2-carboxamide
CID 45249488
N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 11268740

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-ethyl-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-ethyl-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (CID 70756398) is (2S,4R)-4-amino-N-ethyl-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-ethyl-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-ethyl-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1ccc(-c2ccccn2)cc1.
What is the InChIKey of (2S,4R)-4-amino-N-ethyl-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is YFOFIQWXYHPKIV-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-21-19(24)18-11-16(20)13-23(18)12-14-6-8-15(9-7-14)17-5-3-4-10-22-17/h3-10,16,18H,2,11-13,20H2,1H3,(H,21,24)/t16-,18+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-ethyl-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-ethyl-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-ethyl-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70756398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).