N-methyl-5-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide

C29H26F3N7O2 — CID 71203248

About N-methyl-5-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide

N-methyl-5-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide (PubChem CID 71203248) has the molecular formula C29H26F3N7O2 and a molecular weight of 561.57 g/mol. Its IUPAC name is N-methyl-5-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide
• PubChem CID: 71203248
• Molecular Formula: C29H26F3N7O2
• Molecular Weight: 561.57 g/mol
• Exact Mass: 561.21
• IUPAC Name: N-methyl-5-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(Nc2ncc3c(n2)CCN(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3)cn1
• InChI: InChI=1S/C29H26F3N7O2/c1-17-6-7-21(36-26(40)18-4-3-5-20(12-18)29(30,31)32)13-25(17)39-11-10-23-19(16-39)14-35-28(38-23)37-22-8-9-24(34-15-22)27(41)33-2/h3-9,12-15H,10-11,16H2,1-2H3,(H,33,41)(H,36,40)(H,35,37,38)
• InChIKey: JLPAYKSYUUUWDC-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 112.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.57
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide?

The IUPAC name of N-methyl-5-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide (CID 71203248) is N-methyl-5-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide.

What is the SMILES notation for N-methyl-5-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide?

The canonical SMILES for N-methyl-5-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide is CNC(=O)c1ccc(Nc2ncc3c(n2)CCN(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3)cn1.

What is the InChIKey of N-methyl-5-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide?

The InChIKey is JLPAYKSYUUUWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N7O2/c1-17-6-7-21(36-26(40)18-4-3-5-20(12-18)29(30,31)32)13-25(17)39-11-10-23-19(16-39)14-35-28(38-23)37-22-8-9-24(34-15-22)27(41)33-2/h3-9,12-15H,10-11,16H2,1-2H3,(H,33,41)(H,36,40)(H,35,37,38).

What are the key properties of N-methyl-5-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide?

N-methyl-5-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide has a molecular weight of 561.57 g/mol, XLogP of 5.12, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 71203248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).