N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide

C19H19ClFN3O2 — CID 144743692

IUPACN-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CC(N)=O)C2CCc3c(F)cc(Cl)cc32)c(C)n1
InChIInChI=1S/C19H19ClFN3O2/c1-10-3-4-13(11(2)23-10)19(26)24(9-18(22)25)17-6-5-14-15(17)7-12(20)8-16(14)21/h3-4,7-8,17H,5-6,9H2,1-2H3,(H2,22,25)
InChIKeyUPKPHMBVGVFRQT-UHFFFAOYSA-N
MW375.83 g/mol
LogP3.11
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide

N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 144743692) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID144743692
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC NameN-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CC(N)=O)C2CCc3c(F)cc(Cl)cc32)c(C)n1
InChIInChI=1S/C19H19ClFN3O2/c1-10-3-4-13(11(2)23-10)19(26)24(9-18(22)25)17-6-5-14-15(17)7-12(20)8-16(14)21/h3-4,7-8,17H,5-6,9H2,1-2H3,(H2,22,25)
InChIKeyUPKPHMBVGVFRQT-UHFFFAOYSA-N
XLogP3.11
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide;2-methylpyridine
CID 144743635
N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine
CID 144743655
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-3-methylbenzamide
CID 118935505
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118935240
N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 118935502
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 118935355
N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 118936150
3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide
CID 118935802
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 118936149
N-[(1R)-2-amino-1-[3-(hydroxymethyl)phenyl]-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 118935807
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide
CID 118936078
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-5-fluorothiophene-2-carboxamide
CID 118935311

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide (CID 144743692) is N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)N(CC(N)=O)C2CCc3c(F)cc(Cl)cc32)c(C)n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is UPKPHMBVGVFRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c1-10-3-4-13(11(2)23-10)19(26)24(9-18(22)25)17-6-5-14-15(17)7-12(20)8-16(14)21/h3-4,7-8,17H,5-6,9H2,1-2H3,(H2,22,25).
What are the key properties of N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide?
N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 375.83 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 144743692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).