N-methyl-2-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

C21H19F3N6O2 — CID 66958318

IUPACN-methyl-2-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESCNC(=O)c1ccnc(Nc2cc(Nc3ccccc3C(=O)NC)c(C(F)(F)F)cn2)c1
InChIInChI=1S/C21H19F3N6O2/c1-25-19(31)12-7-8-27-17(9-12)30-18-10-16(14(11-28-18)21(22,23)24)29-15-6-4-3-5-13(15)20(32)26-2/h3-11H,1-2H3,(H,25,31)(H,26,32)(H2,27,28,29,30)
InChIKeyAGOBFBSUFHLQKE-UHFFFAOYSA-N
MW444.42 g/mol
LogP3.70
Rot. Bonds6

About N-methyl-2-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

N-methyl-2-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (PubChem CID 66958318) has the molecular formula C21H19F3N6O2 and a molecular weight of 444.42 g/mol. Its IUPAC name is N-methyl-2-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
PubChem CID66958318
Molecular FormulaC21H19F3N6O2
Molecular Weight444.42 g/mol
Exact Mass444.15
IUPAC NameN-methyl-2-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESCNC(=O)c1ccnc(Nc2cc(Nc3ccccc3C(=O)NC)c(C(F)(F)F)cn2)c1
InChIInChI=1S/C21H19F3N6O2/c1-25-19(31)12-7-8-27-17(9-12)30-18-10-16(14(11-28-18)21(22,23)24)29-15-6-4-3-5-13(15)20(32)26-2/h3-11H,1-2H3,(H,25,31)(H,26,32)(H2,27,28,29,30)
InChIKeyAGOBFBSUFHLQKE-UHFFFAOYSA-N
XLogP3.70
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The IUPAC name of N-methyl-2-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (CID 66958318) is N-methyl-2-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-2-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-2-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is CNC(=O)c1ccnc(Nc2cc(Nc3ccccc3C(=O)NC)c(C(F)(F)F)cn2)c1.
What is the InChIKey of N-methyl-2-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The InChIKey is AGOBFBSUFHLQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O2/c1-25-19(31)12-7-8-27-17(9-12)30-18-10-16(14(11-28-18)21(22,23)24)29-15-6-4-3-5-13(15)20(32)26-2/h3-11H,1-2H3,(H,25,31)(H,26,32)(H2,27,28,29,30).
What are the key properties of N-methyl-2-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
N-methyl-2-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide has a molecular weight of 444.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 66958318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).