N-[2-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide

C24H17F6N5O — CID 58829989

IUPACN-[2-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCNc1ncc2cc(-c3cccc(NC(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3C)cnc2n1
InChIInChI=1S/C24H17F6N5O/c1-12-18(14-6-15-11-33-22(31-2)35-20(15)32-10-14)4-3-5-19(12)34-21(36)13-7-16(23(25,26)27)9-17(8-13)24(28,29)30/h3-11H,1-2H3,(H,34,36)(H,31,32,33,35)
InChIKeyVJALJOFNYGJICE-UHFFFAOYSA-N
MW505.42 g/mol
LogP6.33
Rot. Bonds4

About N-[2-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide

N-[2-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 58829989) has the molecular formula C24H17F6N5O and a molecular weight of 505.42 g/mol. Its IUPAC name is N-[2-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID58829989
Molecular FormulaC24H17F6N5O
Molecular Weight505.42 g/mol
Exact Mass505.13
IUPAC NameN-[2-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCNc1ncc2cc(-c3cccc(NC(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3C)cnc2n1
InChIInChI=1S/C24H17F6N5O/c1-12-18(14-6-15-11-33-22(31-2)35-20(15)32-10-14)4-3-5-19(12)34-21(36)13-7-16(23(25,26)27)9-17(8-13)24(28,29)30/h3-11H,1-2H3,(H,34,36)(H,31,32,33,35)
InChIKeyVJALJOFNYGJICE-UHFFFAOYSA-N
XLogP6.33
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.42
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide
CID 70860526
4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-N-[3-(2-morpholin-4-ylethylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide
CID 58829298
N-[4-chloro-3-[2-(methylamino)quinazolin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 58829369
N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 55487840
N-[3-[7-ethynyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 155253603
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 155253604
N-[4-methyl-3-[2-(methylamino)-7-(trideuteriomethoxy)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 155253624
2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-5-quinolin-8-ylbenzoate
CID 59060346
2,2-difluoro-N-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-1,3-benzodioxole-4-carboxamide
CID 58829372
4-(methylamino)-2-methylsulfonyl-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrimidine-5-carboxamide
CID 122633671
N-methyl-6-[2-methyl-5-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]pyrido[2,3-d]pyrimidin-2-amine
CID 58829815

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide (CID 58829989) is N-[2-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide is CNc1ncc2cc(-c3cccc(NC(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3C)cnc2n1.
What is the InChIKey of N-[2-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is VJALJOFNYGJICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F6N5O/c1-12-18(14-6-15-11-33-22(31-2)35-20(15)32-10-14)4-3-5-19(12)34-21(36)13-7-16(23(25,26)27)9-17(8-13)24(28,29)30/h3-11H,1-2H3,(H,34,36)(H,31,32,33,35).
What are the key properties of N-[2-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide?
N-[2-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 505.42 g/mol, XLogP of 6.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 58829989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).