6-[(2,4-difluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide

C24H23F5N6O — CID 71204103

IUPAC6-[(2,4-difluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESCN1CCC(NC(=O)c2cc(NCc3ccc(F)cc3F)nc(-c3cncc(C(F)(F)F)c3)n2)CC1
InChIInChI=1S/C24H23F5N6O/c1-35-6-4-18(5-7-35)32-23(36)20-10-21(31-12-14-2-3-17(25)9-19(14)26)34-22(33-20)15-8-16(13-30-11-15)24(27,28)29/h2-3,8-11,13,18H,4-7,12H2,1H3,(H,32,36)(H,31,33,34)
InChIKeyUEUOYUCXLMAOKI-UHFFFAOYSA-N
MW506.48 g/mol
LogP4.27
Rot. Bonds6

About 6-[(2,4-difluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide

6-[(2,4-difluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 71204103) has the molecular formula C24H23F5N6O and a molecular weight of 506.48 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
PubChem CID71204103
Molecular FormulaC24H23F5N6O
Molecular Weight506.48 g/mol
Exact Mass506.19
IUPAC Name6-[(2,4-difluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESCN1CCC(NC(=O)c2cc(NCc3ccc(F)cc3F)nc(-c3cncc(C(F)(F)F)c3)n2)CC1
InChIInChI=1S/C24H23F5N6O/c1-35-6-4-18(5-7-35)32-23(36)20-10-21(31-12-14-2-3-17(25)9-19(14)26)34-22(33-20)15-8-16(13-30-11-15)24(27,28)29/h2-3,8-11,13,18H,4-7,12H2,1H3,(H,32,36)(H,31,33,34)
InChIKeyUEUOYUCXLMAOKI-UHFFFAOYSA-N
XLogP4.27
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.48
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[(2,4-difluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide (CID 71204103) is 6-[(2,4-difluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(2,4-difluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(2,4-difluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide is CN1CCC(NC(=O)c2cc(NCc3ccc(F)cc3F)nc(-c3cncc(C(F)(F)F)c3)n2)CC1.
What is the InChIKey of 6-[(2,4-difluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is UEUOYUCXLMAOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F5N6O/c1-35-6-4-18(5-7-35)32-23(36)20-10-21(31-12-14-2-3-17(25)9-19(14)26)34-22(33-20)15-8-16(13-30-11-15)24(27,28)29/h2-3,8-11,13,18H,4-7,12H2,1H3,(H,32,36)(H,31,33,34).
What are the key properties of 6-[(2,4-difluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide?
6-[(2,4-difluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 506.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 71204103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).