2-(3-fluoro-4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide

C23H18FN5O2 — CID 134542972

IUPAC2-(3-fluoro-4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1F
InChIInChI=1S/C23H18FN5O2/c1-31-21-8-7-16(13-18(21)24)27-23-26-12-10-19(29-23)22(30)28-20-14-25-11-9-17(20)15-5-3-2-4-6-15/h2-14H,1H3,(H,28,30)(H,26,27,29)
InChIKeyUGOONUOQGNIMGO-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.68
Rot. Bonds6

About 2-(3-fluoro-4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide

2-(3-fluoro-4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 134542972) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID134542972
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC Name2-(3-fluoro-4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1F
InChIInChI=1S/C23H18FN5O2/c1-31-21-8-7-16(13-18(21)24)27-23-26-12-10-19(29-23)22(30)28-20-14-25-11-9-17(20)15-5-3-2-4-6-15/h2-14H,1H3,(H,28,30)(H,26,27,29)
InChIKeyUGOONUOQGNIMGO-UHFFFAOYSA-N
XLogP4.68
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-fluoro-4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide (CID 134542972) is 2-(3-fluoro-4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide is COc1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is UGOONUOQGNIMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c1-31-21-8-7-16(13-18(21)24)27-23-26-12-10-19(29-23)22(30)28-20-14-25-11-9-17(20)15-5-3-2-4-6-15/h2-14H,1H3,(H,28,30)(H,26,27,29).
What are the key properties of 2-(3-fluoro-4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
2-(3-fluoro-4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 415.43 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 134542972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).