N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide

C24H18ClFN4O2 — CID 118935923

IUPACN-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)N(C(C(N)=O)c2cccnc2)[C@@H]2CCc3c(F)cc(Cl)cc32)c1
InChIInChI=1S/C24H18ClFN4O2/c25-17-10-19-18(20(26)11-17)6-7-21(19)30(22(23(28)31)16-5-2-8-29-13-16)24(32)15-4-1-3-14(9-15)12-27/h1-5,8-11,13,21-22H,6-7H2,(H2,28,31)/t21-,22?/m1/s1
InChIKeyXZPPUTAUSZCAQZ-ZMFCMNQTSA-N
MW448.89 g/mol
LogP4.10
Rot. Bonds5

About N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide

N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide (PubChem CID 118935923) has the molecular formula C24H18ClFN4O2 and a molecular weight of 448.89 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide
PubChem CID118935923
Molecular FormulaC24H18ClFN4O2
Molecular Weight448.89 g/mol
Exact Mass448.11
IUPAC NameN-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)N(C(C(N)=O)c2cccnc2)[C@@H]2CCc3c(F)cc(Cl)cc32)c1
InChIInChI=1S/C24H18ClFN4O2/c25-17-10-19-18(20(26)11-17)6-7-21(19)30(22(23(28)31)16-5-2-8-29-13-16)24(32)15-4-1-3-14(9-15)12-27/h1-5,8-11,13,21-22H,6-7H2,(H2,28,31)/t21-,22?/m1/s1
InChIKeyXZPPUTAUSZCAQZ-ZMFCMNQTSA-N
XLogP4.10
TPSA100.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.89
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide?
The IUPAC name of N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide (CID 118935923) is N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide?
The canonical SMILES for N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide is N#Cc1cccc(C(=O)N(C(C(N)=O)c2cccnc2)[C@@H]2CCc3c(F)cc(Cl)cc32)c1.
What is the InChIKey of N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide?
The InChIKey is XZPPUTAUSZCAQZ-ZMFCMNQTSA-N. The full InChI is InChI=1S/C24H18ClFN4O2/c25-17-10-19-18(20(26)11-17)6-7-21(19)30(22(23(28)31)16-5-2-8-29-13-16)24(32)15-4-1-3-14(9-15)12-27/h1-5,8-11,13,21-22H,6-7H2,(H2,28,31)/t21-,22?/m1/s1.
What are the key properties of N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide?
N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide has a molecular weight of 448.89 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide is sourced from PubChem (CID 118935923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).