2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide

C20H17N5O — CID 109259496

IUPAC2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESN#Cc1ccc(Nc2ncc(C(=O)NCCc3ccccc3)cn2)cc1
InChIInChI=1S/C20H17N5O/c21-12-16-6-8-18(9-7-16)25-20-23-13-17(14-24-20)19(26)22-11-10-15-4-2-1-3-5-15/h1-9,13-14H,10-11H2,(H,22,26)(H,23,24,25)
InChIKeyPOTJHNNJYLIPKX-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.06
Rot. Bonds6

About 2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide

2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 109259496) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
PubChem CID109259496
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESN#Cc1ccc(Nc2ncc(C(=O)NCCc3ccccc3)cn2)cc1
InChIInChI=1S/C20H17N5O/c21-12-16-6-8-18(9-7-16)25-20-23-13-17(14-24-20)19(26)22-11-10-15-4-2-1-3-5-15/h1-9,13-14H,10-11H2,(H,22,26)(H,23,24,25)
InChIKeyPOTJHNNJYLIPKX-UHFFFAOYSA-N
XLogP3.06
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252849
2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259447
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109330527
2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259442
2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259417
2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259469
2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259439
2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268383
methyl 4-[[5-(3-phenylpropylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109262651
N-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109161981
2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109264775

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide (CID 109259496) is 2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide is N#Cc1ccc(Nc2ncc(C(=O)NCCc3ccccc3)cn2)cc1.
What is the InChIKey of 2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is POTJHNNJYLIPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c21-12-16-6-8-18(9-7-16)25-20-23-13-17(14-24-20)19(26)22-11-10-15-4-2-1-3-5-15/h1-9,13-14H,10-11H2,(H,22,26)(H,23,24,25).
What are the key properties of 2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).