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

C24H21F3N6O2 — CID 155253725

IUPACN-[3-[7-ethoxy-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCOc1nc2nc(NC)ncc2cc1-c1cc(NC(=O)c2ccnc(C(F)(F)F)c2)ccc1C
InChIInChI=1S/C24H21F3N6O2/c1-4-35-22-18(9-15-12-30-23(28-3)33-20(15)32-22)17-11-16(6-5-13(17)2)31-21(34)14-7-8-29-19(10-14)24(25,26)27/h5-12H,4H2,1-3H3,(H,31,34)(H,28,30,32,33)
InChIKeyUUWQBZQLKUHBGL-UHFFFAOYSA-N
MW482.47 g/mol
LogP5.11
Rot. Bonds6

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

N-[3-[7-ethoxy-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 155253725) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is N-[3-[7-ethoxy-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[7-ethoxy-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID155253725
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC NameN-[3-[7-ethoxy-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCOc1nc2nc(NC)ncc2cc1-c1cc(NC(=O)c2ccnc(C(F)(F)F)c2)ccc1C
InChIInChI=1S/C24H21F3N6O2/c1-4-35-22-18(9-15-12-30-23(28-3)33-20(15)32-22)17-11-16(6-5-13(17)2)31-21(34)14-7-8-29-19(10-14)24(25,26)27/h5-12H,4H2,1-3H3,(H,31,34)(H,28,30,32,33)
InChIKeyUUWQBZQLKUHBGL-UHFFFAOYSA-N
XLogP5.11
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.47
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Naporafenib
CID 90456533
Dora-22
CID 25126515
Kinase inhibitor, 5
CID 71463554
2-(Methylamino)pyrimidine 56
CID 23646934
2-[4-[2-Methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-ylpyridin-2-yl]oxyethyl dihydrogen phosphate
CID 118938835
2-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-[(3R)-3-methylmorpholin-4-yl]pyridin-2-yl]oxyethyl dihydrogen phosphate
CID 118938855
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone
CID 90286316
2-[6-[(3R)-3-methylmorpholin-4-yl]-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridin-2-yl]oxyethyl dihydrogen phosphate
CID 118938856
4-[1-[3-[(2-Ethoxypyridine-4-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
CID 66763824
N-[7-(5-fluoro-2-methylphenyl)-5-piperidin-4-yloxy-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71115073
2-(2-fluoropropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 90461224
2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyridin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90461738

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-ethoxy-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[7-ethoxy-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 155253725) is N-[3-[7-ethoxy-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[7-ethoxy-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[7-ethoxy-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CCOc1nc2nc(NC)ncc2cc1-c1cc(NC(=O)c2ccnc(C(F)(F)F)c2)ccc1C.
What is the InChIKey of N-[3-[7-ethoxy-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is UUWQBZQLKUHBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c1-4-35-22-18(9-15-12-30-23(28-3)33-20(15)32-22)17-11-16(6-5-13(17)2)31-21(34)14-7-8-29-19(10-14)24(25,26)27/h5-12H,4H2,1-3H3,(H,31,34)(H,28,30,32,33).
What are the key properties of N-[3-[7-ethoxy-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[7-ethoxy-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 482.47 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-ethoxy-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 155253725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).