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

C23H16F6N6O — CID 155253671

IUPACN-[4-methyl-3-[2-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(C(F)(F)F)nc2n1
InChIInChI=1S/C23H16F6N6O/c1-11-3-4-14(33-20(36)12-5-6-31-17(8-12)22(24,25)26)9-15(11)16-7-13-10-32-21(30-2)35-19(13)34-18(16)23(27,28)29/h3-10H,1-2H3,(H,33,36)(H,30,32,34,35)
InChIKeyCXIVXGUOVJSGAF-UHFFFAOYSA-N
MW506.41 g/mol
LogP5.73
Rot. Bonds4

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

N-[4-methyl-3-[2-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 155253671) has the molecular formula C23H16F6N6O and a molecular weight of 506.41 g/mol. Its IUPAC name is N-[4-methyl-3-[2-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[2-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID155253671
Molecular FormulaC23H16F6N6O
Molecular Weight506.41 g/mol
Exact Mass506.13
IUPAC NameN-[4-methyl-3-[2-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(C(F)(F)F)nc2n1
InChIInChI=1S/C23H16F6N6O/c1-11-3-4-14(33-20(36)12-5-6-31-17(8-12)22(24,25)26)9-15(11)16-7-13-10-32-21(30-2)35-19(13)34-18(16)23(27,28)29/h3-10H,1-2H3,(H,33,36)(H,30,32,34,35)
InChIKeyCXIVXGUOVJSGAF-UHFFFAOYSA-N
XLogP5.73
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.41
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[2-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-[2-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 155253671) is N-[4-methyl-3-[2-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[2-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-[2-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(C(F)(F)F)nc2n1.
What is the InChIKey of N-[4-methyl-3-[2-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is CXIVXGUOVJSGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F6N6O/c1-11-3-4-14(33-20(36)12-5-6-31-17(8-12)22(24,25)26)9-15(11)16-7-13-10-32-21(30-2)35-19(13)34-18(16)23(27,28)29/h3-10H,1-2H3,(H,33,36)(H,30,32,34,35).
What are the key properties of N-[4-methyl-3-[2-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[4-methyl-3-[2-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 506.41 g/mol, XLogP of 5.73, 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-[2-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 155253671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).