8-[[4-(N-cyclopropyl-4-fluoroanilino)cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

C26H28FN5O — CID 164539888

IUPAC8-[[4-(N-cyclopropyl-4-fluoroanilino)cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCN(c1cc(=O)n(C)c2ccc(C#N)nc12)C1CCC(N(c2ccc(F)cc2)C2CC2)CC1
InChIInChI=1S/C26H28FN5O/c1-30(24-15-25(33)31(2)23-14-5-18(16-28)29-26(23)24)19-8-10-21(11-9-19)32(22-12-13-22)20-6-3-17(27)4-7-20/h3-7,14-15,19,21-22H,8-13H2,1-2H3
InChIKeyYNJDHXVSMPJIFA-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.36
Rot. Bonds5

About 8-[[4-(N-cyclopropyl-4-fluoroanilino)cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

8-[[4-(N-cyclopropyl-4-fluoroanilino)cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (PubChem CID 164539888) has the molecular formula C26H28FN5O and a molecular weight of 445.54 g/mol. Its IUPAC name is 8-[[4-(N-cyclopropyl-4-fluoroanilino)cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name8-[[4-(N-cyclopropyl-4-fluoroanilino)cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
PubChem CID164539888
Molecular FormulaC26H28FN5O
Molecular Weight445.54 g/mol
Exact Mass445.23
IUPAC Name8-[[4-(N-cyclopropyl-4-fluoroanilino)cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCN(c1cc(=O)n(C)c2ccc(C#N)nc12)C1CCC(N(c2ccc(F)cc2)C2CC2)CC1
InChIInChI=1S/C26H28FN5O/c1-30(24-15-25(33)31(2)23-14-5-18(16-28)29-26(23)24)19-8-10-21(11-9-19)32(22-12-13-22)20-6-3-17(27)4-7-20/h3-7,14-15,19,21-22H,8-13H2,1-2H3
InChIKeyYNJDHXVSMPJIFA-UHFFFAOYSA-N
XLogP4.36
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(N-cyclopropyl-4-fluoroanilino)cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The IUPAC name of 8-[[4-(N-cyclopropyl-4-fluoroanilino)cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (CID 164539888) is 8-[[4-(N-cyclopropyl-4-fluoroanilino)cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.
What is the SMILES notation for 8-[[4-(N-cyclopropyl-4-fluoroanilino)cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The canonical SMILES for 8-[[4-(N-cyclopropyl-4-fluoroanilino)cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is CN(c1cc(=O)n(C)c2ccc(C#N)nc12)C1CCC(N(c2ccc(F)cc2)C2CC2)CC1.
What is the InChIKey of 8-[[4-(N-cyclopropyl-4-fluoroanilino)cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The InChIKey is YNJDHXVSMPJIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O/c1-30(24-15-25(33)31(2)23-14-5-18(16-28)29-26(23)24)19-8-10-21(11-9-19)32(22-12-13-22)20-6-3-17(27)4-7-20/h3-7,14-15,19,21-22H,8-13H2,1-2H3.
What are the key properties of 8-[[4-(N-cyclopropyl-4-fluoroanilino)cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
8-[[4-(N-cyclopropyl-4-fluoroanilino)cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile has a molecular weight of 445.54 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(N-cyclopropyl-4-fluoroanilino)cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is sourced from PubChem (CID 164539888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).