N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide

C23H20ClN3O2 — CID 87055375

IUPACN-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccccc1)[C@@H]1CCc2ccc(Cl)cc21
InChIInChI=1S/C23H20ClN3O2/c24-18-10-8-15-9-11-20(19(15)13-18)27(23(29)16-5-2-1-3-6-16)21(22(25)28)17-7-4-12-26-14-17/h1-8,10,12-14,20-21H,9,11H2,(H2,25,28)/t20-,21-/m1/s1
InChIKeyIUFXZWFDLUKKOW-NHCUHLMSSA-N
MW405.89 g/mol
LogP4.09
Rot. Bonds5

About N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide

N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 87055375) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID87055375
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC NameN-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccccc1)[C@@H]1CCc2ccc(Cl)cc21
InChIInChI=1S/C23H20ClN3O2/c24-18-10-8-15-9-11-20(19(15)13-18)27(23(29)16-5-2-1-3-6-16)21(22(25)28)17-7-4-12-26-14-17/h1-8,10,12-14,20-21H,9,11H2,(H2,25,28)/t20-,21-/m1/s1
InChIKeyIUFXZWFDLUKKOW-NHCUHLMSSA-N
XLogP4.09
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide (CID 87055375) is N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide is NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccccc1)[C@@H]1CCc2ccc(Cl)cc21.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is IUFXZWFDLUKKOW-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c24-18-10-8-15-9-11-20(19(15)13-18)27(23(29)16-5-2-1-3-6-16)21(22(25)28)17-7-4-12-26-14-17/h1-8,10,12-14,20-21H,9,11H2,(H2,25,28)/t20-,21-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide?
N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 405.89 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 87055375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).