N-[4-cyano-2-(ethylamino)phenyl]-4-(difluoromethyl)pyrimidine-5-carboxamide

C15H13F2N5O — CID 135185880

IUPACN-[4-cyano-2-(ethylamino)phenyl]-4-(difluoromethyl)pyrimidine-5-carboxamide
SMILESCCNc1cc(C#N)ccc1NC(=O)c1cncnc1C(F)F
InChIInChI=1S/C15H13F2N5O/c1-2-20-12-5-9(6-18)3-4-11(12)22-15(23)10-7-19-8-21-13(10)14(16)17/h3-5,7-8,14,20H,2H2,1H3,(H,22,23)
InChIKeyOYIQNYSICOEDGY-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.97
Rot. Bonds5

About N-[4-cyano-2-(ethylamino)phenyl]-4-(difluoromethyl)pyrimidine-5-carboxamide

N-[4-cyano-2-(ethylamino)phenyl]-4-(difluoromethyl)pyrimidine-5-carboxamide (PubChem CID 135185880) has the molecular formula C15H13F2N5O and a molecular weight of 317.30 g/mol. Its IUPAC name is N-[4-cyano-2-(ethylamino)phenyl]-4-(difluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-2-(ethylamino)phenyl]-4-(difluoromethyl)pyrimidine-5-carboxamide
PubChem CID135185880
Molecular FormulaC15H13F2N5O
Molecular Weight317.30 g/mol
Exact Mass317.11
IUPAC NameN-[4-cyano-2-(ethylamino)phenyl]-4-(difluoromethyl)pyrimidine-5-carboxamide
SMILESCCNc1cc(C#N)ccc1NC(=O)c1cncnc1C(F)F
InChIInChI=1S/C15H13F2N5O/c1-2-20-12-5-9(6-18)3-4-11(12)22-15(23)10-7-19-8-21-13(10)14(16)17/h3-5,7-8,14,20H,2H2,1H3,(H,22,23)
InChIKeyOYIQNYSICOEDGY-UHFFFAOYSA-N
XLogP2.97
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyano-2-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105070875
N-[2-(ethylamino)-4-isocyanophenyl]-4-methylpyrimidine-5-carboxamide
CID 140883883
N-(4-cyanophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 81239209
N-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641827
N-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105070921
5-acetyl-6-(difluoromethyl)pyridine-3-carbonitrile
CID 118039059
5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide
CID 62166224
N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide
CID 81003561
N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103820430
N-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide
CID 103820427
N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide
CID 103817725
3-(ethylamino)-4-methylbenzonitrile
CID 62105760

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-2-(ethylamino)phenyl]-4-(difluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-[4-cyano-2-(ethylamino)phenyl]-4-(difluoromethyl)pyrimidine-5-carboxamide (CID 135185880) is N-[4-cyano-2-(ethylamino)phenyl]-4-(difluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-cyano-2-(ethylamino)phenyl]-4-(difluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-cyano-2-(ethylamino)phenyl]-4-(difluoromethyl)pyrimidine-5-carboxamide is CCNc1cc(C#N)ccc1NC(=O)c1cncnc1C(F)F.
What is the InChIKey of N-[4-cyano-2-(ethylamino)phenyl]-4-(difluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is OYIQNYSICOEDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O/c1-2-20-12-5-9(6-18)3-4-11(12)22-15(23)10-7-19-8-21-13(10)14(16)17/h3-5,7-8,14,20H,2H2,1H3,(H,22,23).
What are the key properties of N-[4-cyano-2-(ethylamino)phenyl]-4-(difluoromethyl)pyrimidine-5-carboxamide?
N-[4-cyano-2-(ethylamino)phenyl]-4-(difluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 317.30 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-(ethylamino)phenyl]-4-(difluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 135185880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).