8-[[4-[(Z)-N-(difluoromethoxy)-C-pyrimidin-4-ylcarbonimidoyl]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile

C24H22F2N8O2 — CID 168962760

IUPAC8-[[4-[(Z)-N-(difluoromethoxy)-C-pyrimidin-4-ylcarbonimidoyl]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
SMILESCN(c1c(C#N)c(=O)n(C)c2ccc(C#N)nc12)C1CCC(/C(=N/OC(F)F)c2ccncn2)CC1
InChIInChI=1S/C24H22F2N8O2/c1-33(22-17(12-28)23(35)34(2)19-8-5-15(11-27)31-21(19)22)16-6-3-14(4-7-16)20(32-36-24(25)26)18-9-10-29-13-30-18/h5,8-10,13-14,16,24H,3-4,6-7H2,1-2H3/b32-20-
InChIKeyNXQBXNKYOMQWPC-RGXNXFOYSA-N
MW492.49 g/mol
LogP3.11
Rot. Bonds6

About 8-[[4-[(Z)-N-(difluoromethoxy)-C-pyrimidin-4-ylcarbonimidoyl]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile

8-[[4-[(Z)-N-(difluoromethoxy)-C-pyrimidin-4-ylcarbonimidoyl]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile (PubChem CID 168962760) has the molecular formula C24H22F2N8O2 and a molecular weight of 492.49 g/mol. Its IUPAC name is 8-[[4-[(Z)-N-(difluoromethoxy)-C-pyrimidin-4-ylcarbonimidoyl]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile.

Molecular Properties

Compound Name8-[[4-[(Z)-N-(difluoromethoxy)-C-pyrimidin-4-ylcarbonimidoyl]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
PubChem CID168962760
Molecular FormulaC24H22F2N8O2
Molecular Weight492.49 g/mol
Exact Mass492.18
IUPAC Name8-[[4-[(Z)-N-(difluoromethoxy)-C-pyrimidin-4-ylcarbonimidoyl]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
SMILESCN(c1c(C#N)c(=O)n(C)c2ccc(C#N)nc12)C1CCC(/C(=N/OC(F)F)c2ccncn2)CC1
InChIInChI=1S/C24H22F2N8O2/c1-33(22-17(12-28)23(35)34(2)19-8-5-15(11-27)31-21(19)22)16-6-3-14(4-7-16)20(32-36-24(25)26)18-9-10-29-13-30-18/h5,8-10,13-14,16,24H,3-4,6-7H2,1-2H3/b32-20-
InChIKeyNXQBXNKYOMQWPC-RGXNXFOYSA-N
XLogP3.11
TPSA133.08 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-8-[methyl-[4-[(E)-N-[(2-methylpropan-2-yl)oxy]-C-pyridin-2-ylcarbonimidoyl]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 168962840
8-[[4-[(Z)-C-(5-fluoro-1-methylpyrazol-3-yl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 168962548
8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-N-[(2-methylpropan-2-yl)oxy]-1-pyrimidin-4-ylmethanimine
CID 168962726
8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-N-(difluoromethoxy)-1-(2-methylphenyl)methanimine
CID 168962815
6-chloro-4-[[4-[(Z)-N-cyclopropyloxy-C-phenylcarbonimidoyl]cyclohexyl]-methylamino]-1-methyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 166903758
8-[[4-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 164539724
8-[[4-[N-(cyclobutylmethyl)-3-(difluoromethoxy)-4-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 164539618
8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;N-(cyclohexylmethyl)-4-fluoroaniline
CID 164539528
6-bromo-1-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 170792046
8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(E)-N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine
CID 168962638
6-chloro-4-[[4-[(Z)-C-(2-hydroxy-4-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]cyclohexyl]-methylamino]-1-methyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 168962772
6-chloro-4-[[4-[(Z)-C-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]cyclohexyl]-methylamino]-1-methyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 168962665

Frequently Asked Questions

What is the IUPAC name of 8-[[4-[(Z)-N-(difluoromethoxy)-C-pyrimidin-4-ylcarbonimidoyl]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile?
The IUPAC name of 8-[[4-[(Z)-N-(difluoromethoxy)-C-pyrimidin-4-ylcarbonimidoyl]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile (CID 168962760) is 8-[[4-[(Z)-N-(difluoromethoxy)-C-pyrimidin-4-ylcarbonimidoyl]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile.
What is the SMILES notation for 8-[[4-[(Z)-N-(difluoromethoxy)-C-pyrimidin-4-ylcarbonimidoyl]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile?
The canonical SMILES for 8-[[4-[(Z)-N-(difluoromethoxy)-C-pyrimidin-4-ylcarbonimidoyl]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile is CN(c1c(C#N)c(=O)n(C)c2ccc(C#N)nc12)C1CCC(/C(=N/OC(F)F)c2ccncn2)CC1.
What is the InChIKey of 8-[[4-[(Z)-N-(difluoromethoxy)-C-pyrimidin-4-ylcarbonimidoyl]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile?
The InChIKey is NXQBXNKYOMQWPC-RGXNXFOYSA-N. The full InChI is InChI=1S/C24H22F2N8O2/c1-33(22-17(12-28)23(35)34(2)19-8-5-15(11-27)31-21(19)22)16-6-3-14(4-7-16)20(32-36-24(25)26)18-9-10-29-13-30-18/h5,8-10,13-14,16,24H,3-4,6-7H2,1-2H3/b32-20-.
What are the key properties of 8-[[4-[(Z)-N-(difluoromethoxy)-C-pyrimidin-4-ylcarbonimidoyl]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile?
8-[[4-[(Z)-N-(difluoromethoxy)-C-pyrimidin-4-ylcarbonimidoyl]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile has a molecular weight of 492.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-[(Z)-N-(difluoromethoxy)-C-pyrimidin-4-ylcarbonimidoyl]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile is sourced from PubChem (CID 168962760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).