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

C24H21ClFN3O2 — CID 144743649

IUPACN-(2-amino-2-oxo-1-phenylethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)N(C1CCc2c(F)cc(Cl)cc21)C(C(N)=O)c1ccccc1
InChIInChI=1S/C24H21ClFN3O2/c1-14-13-28-10-9-17(14)24(31)29(22(23(27)30)15-5-3-2-4-6-15)21-8-7-18-19(21)11-16(25)12-20(18)26/h2-6,9-13,21-22H,7-8H2,1H3,(H2,27,30)
InChIKeyIXPBGQOZHKFELL-UHFFFAOYSA-N
MW437.90 g/mol
LogP4.54
Rot. Bonds5

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

N-(2-amino-2-oxo-1-phenylethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-4-carboxamide (PubChem CID 144743649) has the molecular formula C24H21ClFN3O2 and a molecular weight of 437.90 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-4-carboxamide
PubChem CID144743649
Molecular FormulaC24H21ClFN3O2
Molecular Weight437.90 g/mol
Exact Mass437.13
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)N(C1CCc2c(F)cc(Cl)cc21)C(C(N)=O)c1ccccc1
InChIInChI=1S/C24H21ClFN3O2/c1-14-13-28-10-9-17(14)24(31)29(22(23(27)30)15-5-3-2-4-6-15)21-8-7-18-19(21)11-16(25)12-20(18)26/h2-6,9-13,21-22H,7-8H2,1H3,(H2,27,30)
InChIKeyIXPBGQOZHKFELL-UHFFFAOYSA-N
XLogP4.54
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.90
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-4-carboxamide (CID 144743649) is N-(2-amino-2-oxo-1-phenylethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-4-carboxamide is Cc1cnccc1C(=O)N(C1CCc2c(F)cc(Cl)cc21)C(C(N)=O)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-4-carboxamide?
The InChIKey is IXPBGQOZHKFELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O2/c1-14-13-28-10-9-17(14)24(31)29(22(23(27)30)15-5-3-2-4-6-15)21-8-7-18-19(21)11-16(25)12-20(18)26/h2-6,9-13,21-22H,7-8H2,1H3,(H2,27,30).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-4-carboxamide?
N-(2-amino-2-oxo-1-phenylethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-4-carboxamide has a molecular weight of 437.90 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 144743649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).