N-[4-[(8-ethyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide

C18H16F3N5O2 — CID 25096178

IUPACN-[4-[(8-ethyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide
SMILESCCn1c(=O)ccc2c(C)nc(Nc3ccc(NC(=O)C(F)(F)F)cc3)nc21
InChIInChI=1S/C18H16F3N5O2/c1-3-26-14(27)9-8-13-10(2)22-17(25-15(13)26)24-12-6-4-11(5-7-12)23-16(28)18(19,20)21/h4-9H,3H2,1-2H3,(H,23,28)(H,22,24,25)
InChIKeyVCUCHOXICQJQPT-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.36
Rot. Bonds4

About N-[4-[(8-ethyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide

N-[4-[(8-ethyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 25096178) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-[4-[(8-ethyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[(8-ethyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide
PubChem CID25096178
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC NameN-[4-[(8-ethyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide
SMILESCCn1c(=O)ccc2c(C)nc(Nc3ccc(NC(=O)C(F)(F)F)cc3)nc21
InChIInChI=1S/C18H16F3N5O2/c1-3-26-14(27)9-8-13-10(2)22-17(25-15(13)26)24-12-6-4-11(5-7-12)23-16(28)18(19,20)21/h4-9H,3H2,1-2H3,(H,23,28)(H,22,24,25)
InChIKeyVCUCHOXICQJQPT-UHFFFAOYSA-N
XLogP3.36
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(8-ethyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[(8-ethyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide (CID 25096178) is N-[4-[(8-ethyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[(8-ethyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[(8-ethyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide is CCn1c(=O)ccc2c(C)nc(Nc3ccc(NC(=O)C(F)(F)F)cc3)nc21.
What is the InChIKey of N-[4-[(8-ethyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is VCUCHOXICQJQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-3-26-14(27)9-8-13-10(2)22-17(25-15(13)26)24-12-6-4-11(5-7-12)23-16(28)18(19,20)21/h4-9H,3H2,1-2H3,(H,23,28)(H,22,24,25).
What are the key properties of N-[4-[(8-ethyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide?
N-[4-[(8-ethyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 391.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(8-ethyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 25096178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).