N-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide

C20H16FN5O — CID 109351078

IUPACN-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cc(NCCc3ccc(F)cc3)ncn2)c1
InChIInChI=1S/C20H16FN5O/c21-16-6-4-14(5-7-16)8-9-23-19-11-18(24-13-25-19)20(27)26-17-3-1-2-15(10-17)12-22/h1-7,10-11,13H,8-9H2,(H,26,27)(H,23,24,25)
InChIKeyPRTPLTZGDNJMFC-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.39
Rot. Bonds6

About N-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide

N-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109351078) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109351078
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC NameN-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cc(NCCc3ccc(F)cc3)ncn2)c1
InChIInChI=1S/C20H16FN5O/c21-16-6-4-14(5-7-16)8-9-23-19-11-18(24-13-25-19)20(27)26-17-3-1-2-15(10-17)12-22/h1-7,10-11,13H,8-9H2,(H,26,27)(H,23,24,25)
InChIKeyPRTPLTZGDNJMFC-UHFFFAOYSA-N
XLogP3.39
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109351026
N-(3-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344224
6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109346612
N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350268
N-(3-chloro-4-methylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351050
N-(3-cyanophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109353666
6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109353836
6-(1,3-benzodioxol-5-ylmethylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109349304
N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353538
N-(4-cyanophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353572
6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109351074
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109351052

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide (CID 109351078) is N-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide is N#Cc1cccc(NC(=O)c2cc(NCCc3ccc(F)cc3)ncn2)c1.
What is the InChIKey of N-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is PRTPLTZGDNJMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-16-6-4-14(5-7-16)8-9-23-19-11-18(24-13-25-19)20(27)26-17-3-1-2-15(10-17)12-22/h1-7,10-11,13H,8-9H2,(H,26,27)(H,23,24,25).
What are the key properties of N-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
N-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 361.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109351078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).