N-[3-[2-(ethylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C24H21F3N6O — CID 155253703

IUPACN-[3-[2-(ethylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(C)nc2n1
InChIInChI=1S/C24H21F3N6O/c1-4-28-23-30-12-16-9-19(14(3)31-21(16)33-23)18-11-17(6-5-13(18)2)32-22(34)15-7-8-29-20(10-15)24(25,26)27/h5-12H,4H2,1-3H3,(H,32,34)(H,28,30,31,33)
InChIKeyOSOBZQFVXIIMLF-UHFFFAOYSA-N
MW466.47 g/mol
LogP5.41
Rot. Bonds5

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

N-[3-[2-(ethylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 155253703) has the molecular formula C24H21F3N6O and a molecular weight of 466.47 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID155253703
Molecular FormulaC24H21F3N6O
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC NameN-[3-[2-(ethylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(C)nc2n1
InChIInChI=1S/C24H21F3N6O/c1-4-28-23-30-12-16-9-19(14(3)31-21(16)33-23)18-11-17(6-5-13(18)2)32-22(34)15-7-8-29-20(10-15)24(25,26)27/h5-12H,4H2,1-3H3,(H,32,34)(H,28,30,31,33)
InChIKeyOSOBZQFVXIIMLF-UHFFFAOYSA-N
XLogP5.41
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.47
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[2-(ethylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 155253703) is N-[3-[2-(ethylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[2-(ethylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[2-(ethylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CCNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(C)nc2n1.
What is the InChIKey of N-[3-[2-(ethylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is OSOBZQFVXIIMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O/c1-4-28-23-30-12-16-9-19(14(3)31-21(16)33-23)18-11-17(6-5-13(18)2)32-22(34)15-7-8-29-20(10-15)24(25,26)27/h5-12H,4H2,1-3H3,(H,32,34)(H,28,30,31,33).
What are the key properties of N-[3-[2-(ethylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[2-(ethylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 466.47 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 155253703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).