N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide

C20H17N5O — CID 109259614

IUPACN-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cnc(NCCc2ccccc2)nc1
InChIInChI=1S/C20H17N5O/c21-12-16-8-4-5-9-18(16)25-19(26)17-13-23-20(24-14-17)22-11-10-15-6-2-1-3-7-15/h1-9,13-14H,10-11H2,(H,25,26)(H,22,23,24)
InChIKeyLUIAQKRRXNRXRT-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.26
Rot. Bonds6

About N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide

N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 109259614) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID109259614
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cnc(NCCc2ccccc2)nc1
InChIInChI=1S/C20H17N5O/c21-12-16-8-4-5-9-18(16)25-19(26)17-13-23-20(24-14-17)22-11-10-15-6-2-1-3-7-15/h1-9,13-14H,10-11H2,(H,25,26)(H,22,23,24)
InChIKeyLUIAQKRRXNRXRT-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259548
N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259557
N-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248810
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330431
N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590
N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259588
N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259606
2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109261462
2-(2-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268251
2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
CID 109246506
2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109259586

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (CID 109259614) is N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is N#Cc1ccccc1NC(=O)c1cnc(NCCc2ccccc2)nc1.
What is the InChIKey of N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is LUIAQKRRXNRXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c21-12-16-8-4-5-9-18(16)25-19(26)17-13-23-20(24-14-17)22-11-10-15-6-2-1-3-7-15/h1-9,13-14H,10-11H2,(H,25,26)(H,22,23,24).
What are the key properties of N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.26, 6 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-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).