N-[2-[[6-(methylamino)-3-pyridinyl]amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2,3-diamine;N-methyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyridin-2-amine

C48H40F9N17O — CID 157229679

IUPACN-[2-[[6-(methylamino)-3-pyridinyl]amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2,3-diamine;N-methyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyridin-2-amine
SMILESCNc1ccc(-n2c(-c3ccccn3)nc3cc(C(F)(F)F)cnc32)cn1.CNc1ccc(Nc2ncc(C(F)(F)F)cc2N)cn1.CNc1ccc(Nc2ncc(C(F)(F)F)cc2NC(=O)c2ccccn2)cn1
InChIInChI=1S/C18H15F3N6O.C18H13F3N6.C12H12F3N5/c1-22-15-6-5-12(10-24-15)26-16-14(8-11(9-25-16)18(19,20)21)27-17(28)13-4-2-3-7-23-13;1-22-15-6-5-12(10-24-15)27-16-14(8-11(9-25-16)18(19,20)21)26-17(27)13-4-2-3-7-23-13;1-17-10-3-2-8(6-18-10)20-11-9(16)4-7(5-19-11)12(13,14)15/h2-10H,1H3,(H,22,24)(H,25,26)(H,27,28);2-10H,1H3,(H,22,24);2-6H,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyATYMCURCWVGISW-UHFFFAOYSA-N
MW1041.95 g/mol
LogP10.73
Rot. Bonds11

About N-[2-[[6-(methylamino)-3-pyridinyl]amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2,3-diamine;N-methyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyridin-2-amine

N-[2-[[6-(methylamino)-3-pyridinyl]amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2,3-diamine;N-methyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyridin-2-amine (PubChem CID 157229679) has the molecular formula C48H40F9N17O and a molecular weight of 1041.95 g/mol. Its IUPAC name is N-[2-[[6-(methylamino)-3-pyridinyl]amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2,3-diamine;N-methyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-[[6-(methylamino)-3-pyridinyl]amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2,3-diamine;N-methyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyridin-2-amine
PubChem CID157229679
Molecular FormulaC48H40F9N17O
Molecular Weight1041.95 g/mol
Exact Mass1041.35
IUPAC NameN-[2-[[6-(methylamino)-3-pyridinyl]amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2,3-diamine;N-methyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyridin-2-amine
SMILESCNc1ccc(-n2c(-c3ccccn3)nc3cc(C(F)(F)F)cnc32)cn1.CNc1ccc(Nc2ncc(C(F)(F)F)cc2N)cn1.CNc1ccc(Nc2ncc(C(F)(F)F)cc2NC(=O)c2ccccn2)cn1
InChIInChI=1S/C18H15F3N6O.C18H13F3N6.C12H12F3N5/c1-22-15-6-5-12(10-24-15)26-16-14(8-11(9-25-16)18(19,20)21)27-17(28)13-4-2-3-7-23-13;1-22-15-6-5-12(10-24-15)27-16-14(8-11(9-25-16)18(19,20)21)26-17(27)13-4-2-3-7-23-13;1-17-10-3-2-8(6-18-10)20-11-9(16)4-7(5-19-11)12(13,14)15/h2-10H,1H3,(H,22,24)(H,25,26)(H,27,28);2-10H,1H3,(H,22,24);2-6H,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyATYMCURCWVGISW-UHFFFAOYSA-N
XLogP10.73
TPSA236.21 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001041.95
LogP ≤ 510.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Analyze N-[2-[[6-(methylamino)-3-pyridinyl]amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2,3-diamine;N-methyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(methylamino)-3-pyridinyl]amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2,3-diamine;N-methyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-[2-[[6-(methylamino)-3-pyridinyl]amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2,3-diamine;N-methyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyridin-2-amine (CID 157229679) is N-[2-[[6-(methylamino)-3-pyridinyl]amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2,3-diamine;N-methyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[2-[[6-(methylamino)-3-pyridinyl]amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2,3-diamine;N-methyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-[2-[[6-(methylamino)-3-pyridinyl]amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2,3-diamine;N-methyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyridin-2-amine is CNc1ccc(-n2c(-c3ccccn3)nc3cc(C(F)(F)F)cnc32)cn1.CNc1ccc(Nc2ncc(C(F)(F)F)cc2N)cn1.CNc1ccc(Nc2ncc(C(F)(F)F)cc2NC(=O)c2ccccn2)cn1.
What is the InChIKey of N-[2-[[6-(methylamino)-3-pyridinyl]amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2,3-diamine;N-methyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyridin-2-amine?
The InChIKey is ATYMCURCWVGISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O.C18H13F3N6.C12H12F3N5/c1-22-15-6-5-12(10-24-15)26-16-14(8-11(9-25-16)18(19,20)21)27-17(28)13-4-2-3-7-23-13;1-22-15-6-5-12(10-24-15)27-16-14(8-11(9-25-16)18(19,20)21)26-17(27)13-4-2-3-7-23-13;1-17-10-3-2-8(6-18-10)20-11-9(16)4-7(5-19-11)12(13,14)15/h2-10H,1H3,(H,22,24)(H,25,26)(H,27,28);2-10H,1H3,(H,22,24);2-6H,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[2-[[6-(methylamino)-3-pyridinyl]amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2,3-diamine;N-methyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyridin-2-amine?
N-[2-[[6-(methylamino)-3-pyridinyl]amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2,3-diamine;N-methyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyridin-2-amine has a molecular weight of 1041.95 g/mol, XLogP of 10.73, 11 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(methylamino)-3-pyridinyl]amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2,3-diamine;N-methyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 157229679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).