N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide

C31H27F3N6O2 — CID 155253653

IUPACN-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(CN(C)c2ncc3cc(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5C)cnc4C)cnc3n2)cc1
InChIInChI=1S/C31H27F3N6O2/c1-18-25(6-5-7-27(18)31(32,33)34)29(41)38-23-13-26(19(2)35-16-23)21-12-22-15-37-30(39-28(22)36-14-21)40(3)17-20-8-10-24(42-4)11-9-20/h5-16H,17H2,1-4H3,(H,38,41)
InChIKeyJDFKRCPOKRQCNR-UHFFFAOYSA-N
MW572.59 g/mol
LogP6.62
Rot. Bonds7

About N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide

N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide (PubChem CID 155253653) has the molecular formula C31H27F3N6O2 and a molecular weight of 572.59 g/mol. Its IUPAC name is N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide
PubChem CID155253653
Molecular FormulaC31H27F3N6O2
Molecular Weight572.59 g/mol
Exact Mass572.21
IUPAC NameN-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(CN(C)c2ncc3cc(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5C)cnc4C)cnc3n2)cc1
InChIInChI=1S/C31H27F3N6O2/c1-18-25(6-5-7-27(18)31(32,33)34)29(41)38-23-13-26(19(2)35-16-23)21-12-22-15-37-30(39-28(22)36-14-21)40(3)17-20-8-10-24(42-4)11-9-20/h5-16H,17H2,1-4H3,(H,38,41)
InChIKeyJDFKRCPOKRQCNR-UHFFFAOYSA-N
XLogP6.62
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.59
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide (CID 155253653) is N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide is COc1ccc(CN(C)c2ncc3cc(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5C)cnc4C)cnc3n2)cc1.
What is the InChIKey of N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is JDFKRCPOKRQCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F3N6O2/c1-18-25(6-5-7-27(18)31(32,33)34)29(41)38-23-13-26(19(2)35-16-23)21-12-22-15-37-30(39-28(22)36-14-21)40(3)17-20-8-10-24(42-4)11-9-20/h5-16H,17H2,1-4H3,(H,38,41).
What are the key properties of N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide?
N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 572.59 g/mol, XLogP of 6.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 155253653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).