N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C23H19F3N6O — CID 155253604

IUPACN-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCNc1ncc2cc(-c3cc(NC(=O)c4cc(C(F)(F)F)ccn4)ccc3C)c(C)nc2n1
InChIInChI=1S/C23H19F3N6O/c1-12-4-5-16(31-21(33)19-9-15(6-7-28-19)23(24,25)26)10-17(12)18-8-14-11-29-22(27-3)32-20(14)30-13(18)2/h4-11H,1-3H3,(H,31,33)(H,27,29,30,32)
InChIKeyQCGBXOTZVYWNEA-UHFFFAOYSA-N
MW452.44 g/mol
LogP5.02
Rot. Bonds4

About N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155253604) has the molecular formula C23H19F3N6O and a molecular weight of 452.44 g/mol. Its IUPAC name is N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID155253604
Molecular FormulaC23H19F3N6O
Molecular Weight452.44 g/mol
Exact Mass452.16
IUPAC NameN-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCNc1ncc2cc(-c3cc(NC(=O)c4cc(C(F)(F)F)ccn4)ccc3C)c(C)nc2n1
InChIInChI=1S/C23H19F3N6O/c1-12-4-5-16(31-21(33)19-9-15(6-7-28-19)23(24,25)26)10-17(12)18-8-14-11-29-22(27-3)32-20(14)30-13(18)2/h4-11H,1-3H3,(H,31,33)(H,27,29,30,32)
InChIKeyQCGBXOTZVYWNEA-UHFFFAOYSA-N
XLogP5.02
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.44
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[7-ethynyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 155253603
N-[4-methyl-3-[2-(methylamino)-7-(trideuteriomethoxy)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 155253624
N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 171520632
2-fluoro-N-[4-methyl-3-[2-(methylamino)quinazolin-6-yl]phenyl]-5-(trifluoromethyl)benzamide
CID 58829062
N-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 164572625
N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 158809590
N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 164905495
4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide
CID 171520659
N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176565448
N-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide
CID 170149403
N-[4-methyl-3-[12-[(3-methyl-4-pyridinyl)imino]-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 169075003
N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridine-2-carboxamide
CID 167511653

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 155253604) is N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is CNc1ncc2cc(-c3cc(NC(=O)c4cc(C(F)(F)F)ccn4)ccc3C)c(C)nc2n1.
What is the InChIKey of N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is QCGBXOTZVYWNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O/c1-12-4-5-16(31-21(33)19-9-15(6-7-28-19)23(24,25)26)10-17(12)18-8-14-11-29-22(27-3)32-20(14)30-13(18)2/h4-11H,1-3H3,(H,31,33)(H,27,29,30,32).
What are the key properties of N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 452.44 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155253604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).