2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide

C21H15FN6O — CID 134556611

IUPAC2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccc(F)nc2)n1
InChIInChI=1S/C21H15FN6O/c22-19-7-6-15(12-25-19)26-21-24-11-9-17(28-21)20(29)27-18-13-23-10-8-16(18)14-4-2-1-3-5-14/h1-13H,(H,27,29)(H,24,26,28)
InChIKeyIZAQIVVCPRFMCI-UHFFFAOYSA-N
MW386.39 g/mol
LogP4.07
Rot. Bonds5

About 2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide

2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 134556611) has the molecular formula C21H15FN6O and a molecular weight of 386.39 g/mol. Its IUPAC name is 2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID134556611
Molecular FormulaC21H15FN6O
Molecular Weight386.39 g/mol
Exact Mass386.13
IUPAC Name2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccc(F)nc2)n1
InChIInChI=1S/C21H15FN6O/c22-19-7-6-15(12-25-19)26-21-24-11-9-17(28-21)20(29)27-18-13-23-10-8-16(18)14-4-2-1-3-5-14/h1-13H,(H,27,29)(H,24,26,28)
InChIKeyIZAQIVVCPRFMCI-UHFFFAOYSA-N
XLogP4.07
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylsulfanylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134543081
2-(4-cyanoanilino)-N-[4-(4-fluorophenyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 134556469
2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134556719
2-[(3-methyl-1,2-thiazol-5-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134556717
N-(4-phenyl-3-pyridinyl)-2-(3-propan-2-yloxypropylamino)pyrimidine-4-carboxamide
CID 134556674
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109315593
2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064170
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109316584
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
N-(6-fluoro-3-pyridinyl)quinoline-2-carboxamide
CID 103789892
2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide
CID 134543214
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide (CID 134556611) is 2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide is O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccc(F)nc2)n1.
What is the InChIKey of 2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is IZAQIVVCPRFMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN6O/c22-19-7-6-15(12-25-19)26-21-24-11-9-17(28-21)20(29)27-18-13-23-10-8-16(18)14-4-2-1-3-5-14/h1-13H,(H,27,29)(H,24,26,28).
What are the key properties of 2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 386.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 134556611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).