N-[5-(2-fluorophenyl)-3-pyridinyl]-2-[(6-methyl-3-pyridinyl)amino]pyrimidine-4-carboxamide

C22H17FN6O — CID 134543164

IUPACN-[5-(2-fluorophenyl)-3-pyridinyl]-2-[(6-methyl-3-pyridinyl)amino]pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)Nc3cncc(-c4ccccc4F)c3)n2)cn1
InChIInChI=1S/C22H17FN6O/c1-14-6-7-16(13-26-14)28-22-25-9-8-20(29-22)21(30)27-17-10-15(11-24-12-17)18-4-2-3-5-19(18)23/h2-13H,1H3,(H,27,30)(H,25,28,29)
InChIKeyVHXGPHNXSYNQPD-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.38
Rot. Bonds5

About N-[5-(2-fluorophenyl)-3-pyridinyl]-2-[(6-methyl-3-pyridinyl)amino]pyrimidine-4-carboxamide

N-[5-(2-fluorophenyl)-3-pyridinyl]-2-[(6-methyl-3-pyridinyl)amino]pyrimidine-4-carboxamide (PubChem CID 134543164) has the molecular formula C22H17FN6O and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-3-pyridinyl]-2-[(6-methyl-3-pyridinyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-3-pyridinyl]-2-[(6-methyl-3-pyridinyl)amino]pyrimidine-4-carboxamide
PubChem CID134543164
Molecular FormulaC22H17FN6O
Molecular Weight400.42 g/mol
Exact Mass400.14
IUPAC NameN-[5-(2-fluorophenyl)-3-pyridinyl]-2-[(6-methyl-3-pyridinyl)amino]pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)Nc3cncc(-c4ccccc4F)c3)n2)cn1
InChIInChI=1S/C22H17FN6O/c1-14-6-7-16(13-26-14)28-22-25-9-8-20(29-22)21(30)27-17-10-15(11-24-12-17)18-4-2-3-5-19(18)23/h2-13H,1H3,(H,27,30)(H,25,28,29)
InChIKeyVHXGPHNXSYNQPD-UHFFFAOYSA-N
XLogP4.38
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(2-fluorophenyl)-3-pyridinyl]-2-[(6-methyl-3-pyridinyl)amino]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-3-pyridinyl]-2-[(6-methyl-3-pyridinyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-[5-(2-fluorophenyl)-3-pyridinyl]-2-[(6-methyl-3-pyridinyl)amino]pyrimidine-4-carboxamide (CID 134543164) is N-[5-(2-fluorophenyl)-3-pyridinyl]-2-[(6-methyl-3-pyridinyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-3-pyridinyl]-2-[(6-methyl-3-pyridinyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-3-pyridinyl]-2-[(6-methyl-3-pyridinyl)amino]pyrimidine-4-carboxamide is Cc1ccc(Nc2nccc(C(=O)Nc3cncc(-c4ccccc4F)c3)n2)cn1.
What is the InChIKey of N-[5-(2-fluorophenyl)-3-pyridinyl]-2-[(6-methyl-3-pyridinyl)amino]pyrimidine-4-carboxamide?
The InChIKey is VHXGPHNXSYNQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O/c1-14-6-7-16(13-26-14)28-22-25-9-8-20(29-22)21(30)27-17-10-15(11-24-12-17)18-4-2-3-5-19(18)23/h2-13H,1H3,(H,27,30)(H,25,28,29).
What are the key properties of N-[5-(2-fluorophenyl)-3-pyridinyl]-2-[(6-methyl-3-pyridinyl)amino]pyrimidine-4-carboxamide?
N-[5-(2-fluorophenyl)-3-pyridinyl]-2-[(6-methyl-3-pyridinyl)amino]pyrimidine-4-carboxamide has a molecular weight of 400.42 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-3-pyridinyl]-2-[(6-methyl-3-pyridinyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 134543164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).