N-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

C18H16F3N3O — CID 162688006

IUPACN-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)CC[C@H]2Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C18H16F3N3O/c1-2-17(25)23-13-4-5-14-11(9-13)3-6-15(14)24-16-10-12(7-8-22-16)18(19,20)21/h2,4-5,7-10,15H,1,3,6H2,(H,22,24)(H,23,25)/t15-/m1/s1
InChIKeyGRMFCBKPVZJPCL-OAHLLOKOSA-N
MW347.34 g/mol
LogP4.32
Rot. Bonds4

About N-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

N-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (PubChem CID 162688006) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
PubChem CID162688006
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC NameN-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)CC[C@H]2Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C18H16F3N3O/c1-2-17(25)23-13-4-5-14-11(9-13)3-6-15(14)24-16-10-12(7-8-22-16)18(19,20)21/h2,4-5,7-10,15H,1,3,6H2,(H,22,24)(H,23,25)/t15-/m1/s1
InChIKeyGRMFCBKPVZJPCL-OAHLLOKOSA-N
XLogP4.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687862
N-[1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687923
N-[2-hydroxy-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 175411837
N-methyl-N-[1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687972
3-[[4-(trifluoromethyl)-2-pyridinyl]amino]piperidine-2,6-dione
CID 66328290
N-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687895
N-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687872
5-fluoro-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 116530756
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
2-fluoro-4-[5-(1-prop-2-enoylpyrrolidin-3-yl)pyrrolo[1,2-c]pyrimidin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 134264547
N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 13411359
N-ethenyl-4-(trifluoromethyl)pyridin-2-amine
CID 142379561

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The IUPAC name of N-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (CID 162688006) is N-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.
What is the SMILES notation for N-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The canonical SMILES for N-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is C=CC(=O)Nc1ccc2c(c1)CC[C@H]2Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The InChIKey is GRMFCBKPVZJPCL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-2-17(25)23-13-4-5-14-11(9-13)3-6-15(14)24-16-10-12(7-8-22-16)18(19,20)21/h2,4-5,7-10,15H,1,3,6H2,(H,22,24)(H,23,25)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
N-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide has a molecular weight of 347.34 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is sourced from PubChem (CID 162688006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).