N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide

C21H17F3N6O2 — CID 25074086

IUPACN-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1Nc1cc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F
InChIInChI=1S/C21H17F3N6O2/c1-25-20(32)13-3-2-6-26-19(13)30-16-9-17(27-10-14(16)21(22,23)24)28-12-4-5-15-11(7-12)8-18(31)29-15/h2-7,9-10H,8H2,1H3,(H,25,32)(H,29,31)(H2,26,27,28,30)
InChIKeyXAORDNWJCOKTOI-UHFFFAOYSA-N
MW442.40 g/mol
LogP3.84
Rot. Bonds5

About N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide

N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 25074086) has the molecular formula C21H17F3N6O2 and a molecular weight of 442.40 g/mol. Its IUPAC name is N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID25074086
Molecular FormulaC21H17F3N6O2
Molecular Weight442.40 g/mol
Exact Mass442.14
IUPAC NameN-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1Nc1cc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F
InChIInChI=1S/C21H17F3N6O2/c1-25-20(32)13-3-2-6-26-19(13)30-16-9-17(27-10-14(16)21(22,23)24)28-12-4-5-15-11(7-12)8-18(31)29-15/h2-7,9-10H,8H2,1H3,(H,25,32)(H,29,31)(H2,26,27,28,30)
InChIKeyXAORDNWJCOKTOI-UHFFFAOYSA-N
XLogP3.84
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide (CID 25074086) is N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide is CNC(=O)c1cccnc1Nc1cc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F.
What is the InChIKey of N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide?
The InChIKey is XAORDNWJCOKTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O2/c1-25-20(32)13-3-2-6-26-19(13)30-16-9-17(27-10-14(16)21(22,23)24)28-12-4-5-15-11(7-12)8-18(31)29-15/h2-7,9-10H,8H2,1H3,(H,25,32)(H,29,31)(H2,26,27,28,30).
What are the key properties of N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide?
N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 442.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 25074086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).