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

C22H17F3N6O — CID 155253684

IUPACN-[3-(2-amino-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc2cnc(N)nc2nc1C
InChIInChI=1S/C22H17F3N6O/c1-11-3-4-15(30-20(32)13-5-6-27-18(8-13)22(23,24)25)9-16(11)17-7-14-10-28-21(26)31-19(14)29-12(17)2/h3-10H,1-2H3,(H,30,32)(H2,26,28,29,31)
InChIKeyCFNSALLKCLQNIU-UHFFFAOYSA-N
MW438.41 g/mol
LogP4.56
Rot. Bonds3

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

N-[3-(2-amino-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 155253684) has the molecular formula C22H17F3N6O and a molecular weight of 438.41 g/mol. Its IUPAC name is N-[3-(2-amino-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID155253684
Molecular FormulaC22H17F3N6O
Molecular Weight438.41 g/mol
Exact Mass438.14
IUPAC NameN-[3-(2-amino-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc2cnc(N)nc2nc1C
InChIInChI=1S/C22H17F3N6O/c1-11-3-4-15(30-20(32)13-5-6-27-18(8-13)22(23,24)25)9-16(11)17-7-14-10-28-21(26)31-19(14)29-12(17)2/h3-10H,1-2H3,(H,30,32)(H2,26,28,29,31)
InChIKeyCFNSALLKCLQNIU-UHFFFAOYSA-N
XLogP4.56
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-(2-amino-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 155253684) is N-[3-(2-amino-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(2-amino-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(2-amino-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc2cnc(N)nc2nc1C.
What is the InChIKey of N-[3-(2-amino-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is CFNSALLKCLQNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N6O/c1-11-3-4-15(30-20(32)13-5-6-27-18(8-13)22(23,24)25)9-16(11)17-7-14-10-28-21(26)31-19(14)29-12(17)2/h3-10H,1-2H3,(H,30,32)(H2,26,28,29,31).
What are the key properties of N-[3-(2-amino-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-(2-amino-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 438.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 155253684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).