N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide

C22H21F3N6O2 — CID 25071289

IUPACN,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cn2)ncc1C(F)(F)F
InChIInChI=1S/C22H21F3N6O2/c1-26-20(32)14-6-4-5-7-16(14)29-17-10-19(28-12-15(17)22(23,24)25)30-18-9-8-13(11-27-18)21(33)31(2)3/h4-12H,1-3H3,(H,26,32)(H2,27,28,29,30)
InChIKeyOUOSCDSBUKWVBB-UHFFFAOYSA-N
MW458.44 g/mol
LogP4.04
Rot. Bonds6

About N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide

N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 25071289) has the molecular formula C22H21F3N6O2 and a molecular weight of 458.44 g/mol. Its IUPAC name is N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID25071289
Molecular FormulaC22H21F3N6O2
Molecular Weight458.44 g/mol
Exact Mass458.17
IUPAC NameN,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cn2)ncc1C(F)(F)F
InChIInChI=1S/C22H21F3N6O2/c1-26-20(32)14-6-4-5-7-16(14)29-17-10-19(28-12-15(17)22(23,24)25)30-18-9-8-13(11-27-18)21(33)31(2)3/h4-12H,1-3H3,(H,26,32)(H2,27,28,29,30)
InChIKeyOUOSCDSBUKWVBB-UHFFFAOYSA-N
XLogP4.04
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide (CID 25071289) is N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide is CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cn2)ncc1C(F)(F)F.
What is the InChIKey of N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The InChIKey is OUOSCDSBUKWVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O2/c1-26-20(32)14-6-4-5-7-16(14)29-17-10-19(28-12-15(17)22(23,24)25)30-18-9-8-13(11-27-18)21(33)31(2)3/h4-12H,1-3H3,(H,26,32)(H2,27,28,29,30).
What are the key properties of N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 25071289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).