2-(3,5-difluoroanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

C18H15F2N5O — CID 24967047

IUPAC2-(3,5-difluoroanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccncc1)c1ccnc(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C18H15F2N5O/c19-13-9-14(20)11-15(10-13)24-18-23-8-4-16(25-18)17(26)22-7-3-12-1-5-21-6-2-12/h1-2,4-6,8-11H,3,7H2,(H,22,26)(H,23,24,25)
InChIKeyKXGZCRLLBNKWPC-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.87
Rot. Bonds6

About 2-(3,5-difluoroanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

2-(3,5-difluoroanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 24967047) has the molecular formula C18H15F2N5O and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-(3,5-difluoroanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-difluoroanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID24967047
Molecular FormulaC18H15F2N5O
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name2-(3,5-difluoroanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccncc1)c1ccnc(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C18H15F2N5O/c19-13-9-14(20)11-15(10-13)24-18-23-8-4-16(25-18)17(26)22-7-3-12-1-5-21-6-2-12/h1-2,4-6,8-11H,3,7H2,(H,22,26)(H,23,24,25)
InChIKeyKXGZCRLLBNKWPC-UHFFFAOYSA-N
XLogP2.87
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109308543
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109309729
methyl 3-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109308533
2-(3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307649
2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109309818
2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307965
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide
CID 109294765
2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109313129
2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109295559
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308380
N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109307912
N-[2-(3-methoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307461

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoroanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3,5-difluoroanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (CID 24967047) is 2-(3,5-difluoroanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,5-difluoroanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,5-difluoroanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is O=C(NCCc1ccncc1)c1ccnc(Nc2cc(F)cc(F)c2)n1.
What is the InChIKey of 2-(3,5-difluoroanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is KXGZCRLLBNKWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O/c19-13-9-14(20)11-15(10-13)24-18-23-8-4-16(25-18)17(26)22-7-3-12-1-5-21-6-2-12/h1-2,4-6,8-11H,3,7H2,(H,22,26)(H,23,24,25).
What are the key properties of 2-(3,5-difluoroanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
2-(3,5-difluoroanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoroanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 24967047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).