N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-(methylamino)-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C45H34ClF6N11O3 — CID 159890763

IUPACN-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-(methylamino)-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(Cl)nc2n1.CNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(=O)[nH]c2n1
InChIInChI=1S/C23H17ClF3N5O.C22H17F3N6O2/c1-3-19-29-11-14-8-17(20(24)32-21(14)31-19)16-10-15(5-4-12(16)2)30-22(33)13-6-7-28-18(9-13)23(25,26)27;1-11-3-4-14(29-19(32)12-5-6-27-17(8-12)22(23,24)25)9-15(11)16-7-13-10-28-21(26-2)31-18(13)30-20(16)33/h4-11H,3H2,1-2H3,(H,30,33);3-10H,1-2H3,(H,29,32)(H2,26,28,30,31,33)
InChIKeyNUSKQJKZLLKRMX-UHFFFAOYSA-N
MW926.28 g/mol
LogP9.88
Rot. Bonds8

About N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-(methylamino)-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-(methylamino)-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 159890763) has the molecular formula C45H34ClF6N11O3 and a molecular weight of 926.28 g/mol. Its IUPAC name is N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-(methylamino)-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-(methylamino)-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID159890763
Molecular FormulaC45H34ClF6N11O3
Molecular Weight926.28 g/mol
Exact Mass925.24
IUPAC NameN-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-(methylamino)-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(Cl)nc2n1.CNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(=O)[nH]c2n1
InChIInChI=1S/C23H17ClF3N5O.C22H17F3N6O2/c1-3-19-29-11-14-8-17(20(24)32-21(14)31-19)16-10-15(5-4-12(16)2)30-22(33)13-6-7-28-18(9-13)23(25,26)27;1-11-3-4-14(29-19(32)12-5-6-27-17(8-12)22(23,24)25)9-15(11)16-7-13-10-28-21(26-2)31-18(13)30-20(16)33/h4-11H,3H2,1-2H3,(H,30,33);3-10H,1-2H3,(H,29,32)(H2,26,28,30,31,33)
InChIKeyNUSKQJKZLLKRMX-UHFFFAOYSA-N
XLogP9.88
TPSA193.32 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500926.28
LogP ≤ 59.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-(methylamino)-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Related Compounds

6-chloro-N-[4-[[[5-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 44818495
6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2-(4-methylpiperazin-1-yl)quinoline-5-carboxamide
CID 58228090
US10927111, Example 64
CID 155253596
US10927111, Example 32
CID 155253597
US10927111, Example 6
CID 155253599
US10927111, Example 49
CID 155253600
US10927111, Example 76
CID 155253602
US10927111, Example 27
CID 155253604
US10927111, Example 39
CID 155253607
US10927111, Example 41
CID 155253611
US10927111, Example 53
CID 155253628
US10927111, Example 67
CID 155253631

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-(methylamino)-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-(methylamino)-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 159890763) is N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-(methylamino)-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-(methylamino)-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-(methylamino)-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CCc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(Cl)nc2n1.CNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(=O)[nH]c2n1.
What is the InChIKey of N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-(methylamino)-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is NUSKQJKZLLKRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N5O.C22H17F3N6O2/c1-3-19-29-11-14-8-17(20(24)32-21(14)31-19)16-10-15(5-4-12(16)2)30-22(33)13-6-7-28-18(9-13)23(25,26)27;1-11-3-4-14(29-19(32)12-5-6-27-17(8-12)22(23,24)25)9-15(11)16-7-13-10-28-21(26-2)31-18(13)30-20(16)33/h4-11H,3H2,1-2H3,(H,30,33);3-10H,1-2H3,(H,29,32)(H2,26,28,30,31,33).
What are the key properties of N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-(methylamino)-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-(methylamino)-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 926.28 g/mol, XLogP of 9.88, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-(methylamino)-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 159890763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).