6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

C18H17FN6O — CID 89012362

IUPAC6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(F)c(N)c2)cc1NCc1cccnc1
InChIInChI=1S/C18H17FN6O/c19-14-4-3-12(6-15(14)20)25-17-7-16(13(10-24-17)18(21)26)23-9-11-2-1-5-22-8-11/h1-8,10H,9,20H2,(H2,21,26)(H2,23,24,25)
InChIKeyBQULHIMXCIHUEH-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.65
Rot. Bonds6

About 6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (PubChem CID 89012362) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is 6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
PubChem CID89012362
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(F)c(N)c2)cc1NCc1cccnc1
InChIInChI=1S/C18H17FN6O/c19-14-4-3-12(6-15(14)20)25-17-7-16(13(10-24-17)18(21)26)23-9-11-2-1-5-22-8-11/h1-8,10H,9,20H2,(H2,21,26)(H2,23,24,25)
InChIKeyBQULHIMXCIHUEH-UHFFFAOYSA-N
XLogP2.65
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 58098696
6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide
CID 67500823
4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide
CID 67500980
6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 58450737
6-[4-(difluoromethoxy)anilino]-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide
CID 67502997
4-[(5-fluoro-3-pyridinyl)methylamino]-6-[4-(2,2,2-trifluoroethylcarbamoyl)anilino]pyridine-3-carboxamide
CID 67500427
6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide
CID 67501790
4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide
CID 67423689
CID 159420152
CID 159420152
4-(benzylamino)-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 58450630
4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218740
4-[(3-fluorophenyl)methylamino]-6-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56969795

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (CID 89012362) is 6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is NC(=O)c1cnc(Nc2ccc(F)c(N)c2)cc1NCc1cccnc1.
What is the InChIKey of 6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is BQULHIMXCIHUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c19-14-4-3-12(6-15(14)20)25-17-7-16(13(10-24-17)18(21)26)23-9-11-2-1-5-22-8-11/h1-8,10H,9,20H2,(H2,21,26)(H2,23,24,25).
What are the key properties of 6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 2.65, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 89012362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).