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

C23H18FN5O — CID 112854063

IUPACN-(4-fluorophenyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(NCc2ccccn2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H18FN5O/c24-17-9-11-18(12-10-17)27-23(30)20-14-21(26-15-19-8-4-5-13-25-19)29-22(28-20)16-6-2-1-3-7-16/h1-14H,15H2,(H,27,30)(H,26,28,29)
InChIKeyWYKFSPMEDQGHNR-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.54
Rot. Bonds6

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

N-(4-fluorophenyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 112854063) 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-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID112854063
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC NameN-(4-fluorophenyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(NCc2ccccn2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H18FN5O/c24-17-9-11-18(12-10-17)27-23(30)20-14-21(26-15-19-8-4-5-13-25-19)29-22(28-20)16-6-2-1-3-7-16/h1-14H,15H2,(H,27,30)(H,26,28,29)
InChIKeyWYKFSPMEDQGHNR-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-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854101
N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112851864
6-[3-(dimethylamino)propylamino]-N-(4-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853744
N-(furan-2-ylmethyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112853936
2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 59340687
4-N-(4-chlorophenyl)-2-phenyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112881334
2,4-difluoro-N-[4-(pyridin-2-ylmethylamino)phenyl]benzamide
CID 51107830
N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852023
N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853925
N-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349642
N-(3-chloro-4-fluorophenyl)-2-phenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852048
N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852390

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (CID 112854063) is N-(4-fluorophenyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(NCc2ccccn2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is WYKFSPMEDQGHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c24-17-9-11-18(12-10-17)27-23(30)20-14-21(26-15-19-8-4-5-13-25-19)29-22(28-20)16-6-2-1-3-7-16/h1-14H,15H2,(H,27,30)(H,26,28,29).
What are the key properties of N-(4-fluorophenyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(4-fluorophenyl)-2-phenyl-6-(pyridin-2-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-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112854063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).