2-amino-N-[(4R)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

C26H22F3N5O2 — CID 156830726

IUPAC2-amino-N-[(4R)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H]3CCOc4ncccc43)ccc2nc1N
InChIInChI=1S/C26H22F3N5O2/c1-15-11-17-12-16(4-7-21(17)33-23(15)30)25(35)34(14-19-6-5-18(13-32-19)26(27,28)29)22-8-10-36-24-20(22)3-2-9-31-24/h2-7,9,11-13,22H,8,10,14H2,1H3,(H2,30,33)/t22-/m1/s1
InChIKeyVUIZDADKOHHIKP-JOCHJYFZSA-N
MW493.49 g/mol
LogP5.10
Rot. Bonds4

About 2-amino-N-[(4R)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

2-amino-N-[(4R)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (PubChem CID 156830726) has the molecular formula C26H22F3N5O2 and a molecular weight of 493.49 g/mol. Its IUPAC name is 2-amino-N-[(4R)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4R)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
PubChem CID156830726
Molecular FormulaC26H22F3N5O2
Molecular Weight493.49 g/mol
Exact Mass493.17
IUPAC Name2-amino-N-[(4R)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H]3CCOc4ncccc43)ccc2nc1N
InChIInChI=1S/C26H22F3N5O2/c1-15-11-17-12-16(4-7-21(17)33-23(15)30)25(35)34(14-19-6-5-18(13-32-19)26(27,28)29)22-8-10-36-24-20(22)3-2-9-31-24/h2-7,9,11-13,22H,8,10,14H2,1H3,(H2,30,33)/t22-/m1/s1
InChIKeyVUIZDADKOHHIKP-JOCHJYFZSA-N
XLogP5.10
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[(4R)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide with MolForge

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Related Compounds

2-amino-3-methyl-N-[(1S,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830050
2-amino-N-[(5S)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830949
2-amino-3-methyl-N-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830402
2-amino-N-[(3R,4S)-3-hydroxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830326
2-amino-3-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830169
2-amino-N-[(3S,4S)-4-methoxyoxan-3-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156831050
2-amino-N-[(8R)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830564
2-amino-3-methyl-N-(oxan-4-ylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830258
2-amino-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830684
2-amino-3-methyl-N-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830781
2-amino-3-methyl-N-[(1R)-1-(oxan-4-yl)propyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830827
2-amino-N-[(2,6-difluorophenyl)methyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830825

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4R)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The IUPAC name of 2-amino-N-[(4R)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (CID 156830726) is 2-amino-N-[(4R)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(4R)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-N-[(4R)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H]3CCOc4ncccc43)ccc2nc1N.
What is the InChIKey of 2-amino-N-[(4R)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The InChIKey is VUIZDADKOHHIKP-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H22F3N5O2/c1-15-11-17-12-16(4-7-21(17)33-23(15)30)25(35)34(14-19-6-5-18(13-32-19)26(27,28)29)22-8-10-36-24-20(22)3-2-9-31-24/h2-7,9,11-13,22H,8,10,14H2,1H3,(H2,30,33)/t22-/m1/s1.
What are the key properties of 2-amino-N-[(4R)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
2-amino-N-[(4R)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide has a molecular weight of 493.49 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4R)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).