2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C17H13F2N5O — CID 109307146

IUPAC2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccn1)c1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C17H13F2N5O/c18-11-4-5-14(13(19)9-11)23-17-21-8-6-15(24-17)16(25)22-10-12-3-1-2-7-20-12/h1-9H,10H2,(H,22,25)(H,21,23,24)
InChIKeyRBTWWZOFRILHHY-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.82
Rot. Bonds5

About 2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109307146) has the molecular formula C17H13F2N5O and a molecular weight of 341.32 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109307146
Molecular FormulaC17H13F2N5O
Molecular Weight341.32 g/mol
Exact Mass341.11
IUPAC Name2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccn1)c1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C17H13F2N5O/c18-11-4-5-14(13(19)9-11)23-17-21-8-6-15(24-17)16(25)22-10-12-3-1-2-7-20-12/h1-9H,10H2,(H,22,25)(H,21,23,24)
InChIKeyRBTWWZOFRILHHY-UHFFFAOYSA-N
XLogP2.82
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303563
2-(4-bromo-2-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307139
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307055
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318638
2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307143
N-(pyridin-2-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307025
2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307099
N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317538
2-(1,3-benzodioxol-5-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307141
N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide
CID 109306869
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109317361

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 109307146) is 2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is O=C(NCc1ccccn1)c1ccnc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of 2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is RBTWWZOFRILHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5O/c18-11-4-5-14(13(19)9-11)23-17-21-8-6-15(24-17)16(25)22-10-12-3-1-2-7-20-12/h1-9H,10H2,(H,22,25)(H,21,23,24).
What are the key properties of 2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 341.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).