(2S)-N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]-1-[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carboxamide

C26H27N5O3 — CID 54423474

IUPAC(2S)-N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]-1-[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carboxamide
SMILESNc1nccc2oc(CNC(=O)[C@@H]3CCCN3C(=O)[C@H](N)Cc3cccc4ccccc34)cc12
InChIInChI=1S/C26H27N5O3/c27-21(13-17-7-3-6-16-5-1-2-8-19(16)17)26(33)31-12-4-9-22(31)25(32)30-15-18-14-20-23(34-18)10-11-29-24(20)28/h1-3,5-8,10-11,14,21-22H,4,9,12-13,15,27H2,(H2,28,29)(H,30,32)/t21-,22+/m1/s1
InChIKeyWCLAOGCOUKPBCF-YADHBBJMSA-N
MW457.53 g/mol
LogP2.74
Rot. Bonds6

About (2S)-N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]-1-[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carboxamide

(2S)-N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]-1-[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carboxamide (PubChem CID 54423474) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is (2S)-N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]-1-[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]-1-[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carboxamide
PubChem CID54423474
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name(2S)-N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]-1-[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carboxamide
SMILESNc1nccc2oc(CNC(=O)[C@@H]3CCCN3C(=O)[C@H](N)Cc3cccc4ccccc34)cc12
InChIInChI=1S/C26H27N5O3/c27-21(13-17-7-3-6-16-5-1-2-8-19(16)17)26(33)31-12-4-9-22(31)25(32)30-15-18-14-20-23(34-18)10-11-29-24(20)28/h1-3,5-8,10-11,14,21-22H,4,9,12-13,15,27H2,(H2,28,29)(H,30,32)/t21-,22+/m1/s1
InChIKeyWCLAOGCOUKPBCF-YADHBBJMSA-N
XLogP2.74
TPSA127.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]-1-[(2R)-2-amino-3-(4-methoxyphenyl)propanoyl]pyrrolidine-2-carboxamide
CID 54251084
(2S)-N-[(1-aminoisoquinolin-7-yl)methyl]-1-[(2R)-2-amino-2-phenylacetyl]pyrrolidine-2-carboxamide
CID 54572541
methyl N-[(1R)-2-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 91593167
methyl N-[(1S)-2-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 91474792
1-[2-[2-(chloroamino)propanoylamino]-3-methylbutanoyl]-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 89078591
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 10136556
tert-butyl N-[(2R)-1-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 90955518
(2S)-1-[2-acetamido-2-(2-chlorophenyl)acetyl]-N-[(1-aminoisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide
CID 54545825
(2S)-1-(2-amino-3-phenylpropanoyl)-N-[[2-(tetrazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 70115634
2-[[2-[2-[(1-aminoisoquinolin-7-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid
CID 22665855
tert-butyl N-[(1R)-2-[(2S)-2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 54572064
1-[2-acetamido-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-N-[(1-aminoisoquinolin-6-yl)methyl]pyrrolidine-2-carboxamide
CID 18430810

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]-1-[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]-1-[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carboxamide (CID 54423474) is (2S)-N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]-1-[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]-1-[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]-1-[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carboxamide is Nc1nccc2oc(CNC(=O)[C@@H]3CCCN3C(=O)[C@H](N)Cc3cccc4ccccc34)cc12.
What is the InChIKey of (2S)-N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]-1-[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carboxamide?
The InChIKey is WCLAOGCOUKPBCF-YADHBBJMSA-N. The full InChI is InChI=1S/C26H27N5O3/c27-21(13-17-7-3-6-16-5-1-2-8-19(16)17)26(33)31-12-4-9-22(31)25(32)30-15-18-14-20-23(34-18)10-11-29-24(20)28/h1-3,5-8,10-11,14,21-22H,4,9,12-13,15,27H2,(H2,28,29)(H,30,32)/t21-,22+/m1/s1.
What are the key properties of (2S)-N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]-1-[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carboxamide?
(2S)-N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]-1-[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]-1-[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 54423474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).