N-[(1S)-1-[5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxopiperidine-2-carboxamide

C23H24ClF3N4O2 — CID 170331132

IUPACN-[(1S)-1-[5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxopiperidine-2-carboxamide
SMILESCN(C(=O)C1CCCC(=O)N1)[C@@H](c1ccc(NC2Cc3ccc(Cl)cc3C2)cn1)C(F)(F)F
InChIInChI=1S/C23H24ClF3N4O2/c1-31(22(33)19-3-2-4-20(32)30-19)21(23(25,26)27)18-8-7-16(12-28-18)29-17-10-13-5-6-15(24)9-14(13)11-17/h5-9,12,17,19,21,29H,2-4,10-11H2,1H3,(H,30,32)/t17?,19?,21-/m0/s1
InChIKeyGDPPTBVUGVMMLR-XTXLOEGASA-N
MW480.92 g/mol
LogP4.04
Rot. Bonds5

About N-[(1S)-1-[5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxopiperidine-2-carboxamide

N-[(1S)-1-[5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxopiperidine-2-carboxamide (PubChem CID 170331132) has the molecular formula C23H24ClF3N4O2 and a molecular weight of 480.92 g/mol. Its IUPAC name is N-[(1S)-1-[5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxopiperidine-2-carboxamide
PubChem CID170331132
Molecular FormulaC23H24ClF3N4O2
Molecular Weight480.92 g/mol
Exact Mass480.15
IUPAC NameN-[(1S)-1-[5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxopiperidine-2-carboxamide
SMILESCN(C(=O)C1CCCC(=O)N1)[C@@H](c1ccc(NC2Cc3ccc(Cl)cc3C2)cn1)C(F)(F)F
InChIInChI=1S/C23H24ClF3N4O2/c1-31(22(33)19-3-2-4-20(32)30-19)21(23(25,26)27)18-8-7-16(12-28-18)29-17-10-13-5-6-15(24)9-14(13)11-17/h5-9,12,17,19,21,29H,2-4,10-11H2,1H3,(H,30,32)/t17?,19?,21-/m0/s1
InChIKeyGDPPTBVUGVMMLR-XTXLOEGASA-N
XLogP4.04
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.92
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-[5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxopiperidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxopiperidine-2-carboxamide?
The IUPAC name of N-[(1S)-1-[5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxopiperidine-2-carboxamide (CID 170331132) is N-[(1S)-1-[5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxopiperidine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxopiperidine-2-carboxamide is CN(C(=O)C1CCCC(=O)N1)[C@@H](c1ccc(NC2Cc3ccc(Cl)cc3C2)cn1)C(F)(F)F.
What is the InChIKey of N-[(1S)-1-[5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxopiperidine-2-carboxamide?
The InChIKey is GDPPTBVUGVMMLR-XTXLOEGASA-N. The full InChI is InChI=1S/C23H24ClF3N4O2/c1-31(22(33)19-3-2-4-20(32)30-19)21(23(25,26)27)18-8-7-16(12-28-18)29-17-10-13-5-6-15(24)9-14(13)11-17/h5-9,12,17,19,21,29H,2-4,10-11H2,1H3,(H,30,32)/t17?,19?,21-/m0/s1.
What are the key properties of N-[(1S)-1-[5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxopiperidine-2-carboxamide?
N-[(1S)-1-[5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxopiperidine-2-carboxamide has a molecular weight of 480.92 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 170331132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).