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

C24H21F3N6O3 — CID 155253613

IUPACN-[3-[7-(2-hydroxyethoxy)-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(OCCO)nc2n1
InChIInChI=1S/C24H21F3N6O3/c1-13-3-4-16(31-21(35)14-5-6-29-19(10-14)24(25,26)27)11-17(13)18-9-15-12-30-23(28-2)33-20(15)32-22(18)36-8-7-34/h3-6,9-12,34H,7-8H2,1-2H3,(H,31,35)(H,28,30,32,33)
InChIKeyIJNQOCNJQGVNRX-UHFFFAOYSA-N
MW498.47 g/mol
LogP4.08
Rot. Bonds7

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

N-[3-[7-(2-hydroxyethoxy)-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 155253613) has the molecular formula C24H21F3N6O3 and a molecular weight of 498.47 g/mol. Its IUPAC name is N-[3-[7-(2-hydroxyethoxy)-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[7-(2-hydroxyethoxy)-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID155253613
Molecular FormulaC24H21F3N6O3
Molecular Weight498.47 g/mol
Exact Mass498.16
IUPAC NameN-[3-[7-(2-hydroxyethoxy)-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(OCCO)nc2n1
InChIInChI=1S/C24H21F3N6O3/c1-13-3-4-16(31-21(35)14-5-6-29-19(10-14)24(25,26)27)11-17(13)18-9-15-12-30-23(28-2)33-20(15)32-22(18)36-8-7-34/h3-6,9-12,34H,7-8H2,1-2H3,(H,31,35)(H,28,30,32,33)
InChIKeyIJNQOCNJQGVNRX-UHFFFAOYSA-N
XLogP4.08
TPSA122.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.47
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[7-(2-hydroxyethoxy)-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[7-(2-hydroxyethoxy)-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 155253613) is N-[3-[7-(2-hydroxyethoxy)-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-(2-hydroxyethoxy)-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[7-(2-hydroxyethoxy)-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(OCCO)nc2n1.
What is the InChIKey of N-[3-[7-(2-hydroxyethoxy)-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is IJNQOCNJQGVNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O3/c1-13-3-4-16(31-21(35)14-5-6-29-19(10-14)24(25,26)27)11-17(13)18-9-15-12-30-23(28-2)33-20(15)32-22(18)36-8-7-34/h3-6,9-12,34H,7-8H2,1-2H3,(H,31,35)(H,28,30,32,33).
What are the key properties of N-[3-[7-(2-hydroxyethoxy)-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[7-(2-hydroxyethoxy)-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 498.47 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-(2-hydroxyethoxy)-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 155253613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).