2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide

C23H20ClFN4O2 — CID 87055788

IUPAC2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
SMILESNC(=O)[C@@H](c1ccccc1)N(C(=O)c1cccnc1N)[C@@H]1CCc2c(F)cc(Cl)cc21
InChIInChI=1S/C23H20ClFN4O2/c24-14-11-17-15(18(25)12-14)8-9-19(17)29(23(31)16-7-4-10-28-21(16)26)20(22(27)30)13-5-2-1-3-6-13/h1-7,10-12,19-20H,8-9H2,(H2,26,28)(H2,27,30)/t19-,20-/m1/s1
InChIKeyUQWXSZBNADPSOU-WOJBJXKFSA-N
MW438.89 g/mol
LogP3.81
Rot. Bonds5

About 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide

2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide (PubChem CID 87055788) has the molecular formula C23H20ClFN4O2 and a molecular weight of 438.89 g/mol. Its IUPAC name is 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
PubChem CID87055788
Molecular FormulaC23H20ClFN4O2
Molecular Weight438.89 g/mol
Exact Mass438.13
IUPAC Name2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
SMILESNC(=O)[C@@H](c1ccccc1)N(C(=O)c1cccnc1N)[C@@H]1CCc2c(F)cc(Cl)cc21
InChIInChI=1S/C23H20ClFN4O2/c24-14-11-17-15(18(25)12-14)8-9-19(17)29(23(31)16-7-4-10-28-21(16)26)20(22(27)30)13-5-2-1-3-6-13/h1-7,10-12,19-20H,8-9H2,(H2,26,28)(H2,27,30)/t19-,20-/m1/s1
InChIKeyUQWXSZBNADPSOU-WOJBJXKFSA-N
XLogP3.81
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.89
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide (CID 87055788) is 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide is NC(=O)[C@@H](c1ccccc1)N(C(=O)c1cccnc1N)[C@@H]1CCc2c(F)cc(Cl)cc21.
What is the InChIKey of 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
The InChIKey is UQWXSZBNADPSOU-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H20ClFN4O2/c24-14-11-17-15(18(25)12-14)8-9-19(17)29(23(31)16-7-4-10-28-21(16)26)20(22(27)30)13-5-2-1-3-6-13/h1-7,10-12,19-20H,8-9H2,(H2,26,28)(H2,27,30)/t19-,20-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide has a molecular weight of 438.89 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 87055788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).