N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide

C23H19F3N6O — CID 155253597

IUPACN-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCNc1ncc2cc(-c3cc(NC(=O)c4cncc(C(F)(F)F)c4)ccc3C)c(C)nc2n1
InChIInChI=1S/C23H19F3N6O/c1-12-4-5-17(31-21(33)15-6-16(11-28-9-15)23(24,25)26)8-18(12)19-7-14-10-29-22(27-3)32-20(14)30-13(19)2/h4-11H,1-3H3,(H,31,33)(H,27,29,30,32)
InChIKeyRBFKDJSCNXKLLJ-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]-5-(trifluoromethyl)pyridine-3-carboxamide

N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 155253597) 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]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID155253597
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]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCNc1ncc2cc(-c3cc(NC(=O)c4cncc(C(F)(F)F)c4)ccc3C)c(C)nc2n1
InChIInChI=1S/C23H19F3N6O/c1-12-4-5-17(31-21(33)15-6-16(11-28-9-15)23(24,25)26)8-18(12)19-7-14-10-29-22(27-3)32-20(14)30-13(19)2/h4-11H,1-3H3,(H,31,33)(H,27,29,30,32)
InChIKeyRBFKDJSCNXKLLJ-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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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]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 155253597) is N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide is CNc1ncc2cc(-c3cc(NC(=O)c4cncc(C(F)(F)F)c4)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]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is RBFKDJSCNXKLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O/c1-12-4-5-17(31-21(33)15-6-16(11-28-9-15)23(24,25)26)8-18(12)19-7-14-10-29-22(27-3)32-20(14)30-13(19)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]-5-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-5-(trifluoromethyl)pyridine-3-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]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 155253597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).