N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide

C18H11F2N5O — CID 109318638

IUPACN-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C18H11F2N5O/c19-12-5-6-15(13(20)9-12)24-18-22-8-7-16(25-18)17(26)23-14-4-2-1-3-11(14)10-21/h1-9H,(H,23,26)(H,22,24,25)
InChIKeyJBYDMSGCKOYZDZ-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.62
Rot. Bonds4

About N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide

N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109318638) has the molecular formula C18H11F2N5O and a molecular weight of 351.32 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
PubChem CID109318638
Molecular FormulaC18H11F2N5O
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC NameN-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C18H11F2N5O/c19-12-5-6-15(13(20)9-12)24-18-22-8-7-16(25-18)17(26)23-14-4-2-1-3-11(14)10-21/h1-9H,(H,23,26)(H,22,24,25)
InChIKeyJBYDMSGCKOYZDZ-UHFFFAOYSA-N
XLogP3.62
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-2-(3,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318808
2-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109317339
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109178899
2-(4-chloroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109316972
N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109359804
N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317538
2-(3-chloro-2-methylanilino)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109317062
2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316079
N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317101
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109317361
ethyl 2-[[4-[(2,4-difluorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109318653
1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057784

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide (CID 109318638) is N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide is N#Cc1ccccc1NC(=O)c1ccnc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is JBYDMSGCKOYZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O/c19-12-5-6-15(13(20)9-12)24-18-22-8-7-16(25-18)17(26)23-14-4-2-1-3-11(14)10-21/h1-9H,(H,23,26)(H,22,24,25).
What are the key properties of N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 351.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).