N-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

C23H18FN5O — CID 112854101

IUPACN-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(NCc2cccnc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H18FN5O/c24-18-8-10-19(11-9-18)27-23(30)20-13-21(26-15-16-5-4-12-25-14-16)29-22(28-20)17-6-2-1-3-7-17/h1-14H,15H2,(H,27,30)(H,26,28,29)
InChIKeyFTUKUGWRNAECBH-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.54
Rot. Bonds6

About N-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

N-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 112854101) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID112854101
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC NameN-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(NCc2cccnc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H18FN5O/c24-18-8-10-19(11-9-18)27-23(30)20-13-21(26-15-16-5-4-12-25-14-16)29-22(28-20)17-6-2-1-3-7-17/h1-14H,15H2,(H,27,30)(H,26,28,29)
InChIKeyFTUKUGWRNAECBH-UHFFFAOYSA-N
XLogP4.54
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112854063
N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112852584
N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854090
6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219
N-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213164
N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307236
6-[3-(dimethylamino)propylamino]-N-(4-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853744
N-(4-tert-butylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371017
N-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112853570
2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371012
6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112853302
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (CID 112854101) is N-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(NCc2cccnc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is FTUKUGWRNAECBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c24-18-8-10-19(11-9-18)27-23(30)20-13-21(26-15-16-5-4-12-25-14-16)29-22(28-20)17-6-2-1-3-7-17/h1-14H,15H2,(H,27,30)(H,26,28,29).
What are the key properties of N-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
N-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112854101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).