2-[(4-hydroxycyclohexyl)amino]-4-[4-(4-phenylimidazol-1-yl)-1,7-naphthyridin-8-yl]benzamide

C30H28N6O2 — CID 166625378

IUPAC2-[(4-hydroxycyclohexyl)amino]-4-[4-(4-phenylimidazol-1-yl)-1,7-naphthyridin-8-yl]benzamide
SMILESNC(=O)c1ccc(-c2nccc3c(-n4cnc(-c5ccccc5)c4)ccnc23)cc1NC1CCC(O)CC1
InChIInChI=1S/C30H28N6O2/c31-30(38)23-11-6-20(16-25(23)35-21-7-9-22(37)10-8-21)28-29-24(12-14-32-28)27(13-15-33-29)36-17-26(34-18-36)19-4-2-1-3-5-19/h1-6,11-18,21-22,35,37H,7-10H2,(H2,31,38)
InChIKeyZWEQWORVAPXCLJ-UHFFFAOYSA-N
MW504.59 g/mol
LogP4.96
Rot. Bonds6

About 2-[(4-hydroxycyclohexyl)amino]-4-[4-(4-phenylimidazol-1-yl)-1,7-naphthyridin-8-yl]benzamide

2-[(4-hydroxycyclohexyl)amino]-4-[4-(4-phenylimidazol-1-yl)-1,7-naphthyridin-8-yl]benzamide (PubChem CID 166625378) has the molecular formula C30H28N6O2 and a molecular weight of 504.59 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-4-[4-(4-phenylimidazol-1-yl)-1,7-naphthyridin-8-yl]benzamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-4-[4-(4-phenylimidazol-1-yl)-1,7-naphthyridin-8-yl]benzamide
PubChem CID166625378
Molecular FormulaC30H28N6O2
Molecular Weight504.59 g/mol
Exact Mass504.23
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-4-[4-(4-phenylimidazol-1-yl)-1,7-naphthyridin-8-yl]benzamide
SMILESNC(=O)c1ccc(-c2nccc3c(-n4cnc(-c5ccccc5)c4)ccnc23)cc1NC1CCC(O)CC1
InChIInChI=1S/C30H28N6O2/c31-30(38)23-11-6-20(16-25(23)35-21-7-9-22(37)10-8-21)28-29-24(12-14-32-28)27(13-15-33-29)36-17-26(34-18-36)19-4-2-1-3-5-19/h1-6,11-18,21-22,35,37H,7-10H2,(H2,31,38)
InChIKeyZWEQWORVAPXCLJ-UHFFFAOYSA-N
XLogP4.96
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-hydroxycyclohexyl)amino]-4-[4-(4-phenylimidazol-1-yl)-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide
CID 67500997
2-[(4-hydroxycyclohexyl)amino]-4-[3-methyl-4-(4-phenylimidazol-1-yl)pyrrolo[2,3-b]pyridin-1-yl]benzonitrile
CID 67502255
2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide
CID 24995493
2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide
CID 67500945
2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide
CID 142339916
2-(cyclopropylamino)benzamide
CID 119089293
2-(tert-butylamino)-4-[3-propan-2-yl-4-(4-pyridin-3-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide
CID 67500777
4-[6,6-dimethyl-4-oxo-3-(pyridin-2-ylmethyl)-5,7-dihydroindazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 59828665
5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 118939356
4-(2-butyl-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 66563220
2-(methylamino)-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide
CID 67500163
2-[(4-hydroxycyclohexyl)amino]-4-[3-(hydroxymethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]benzamide
CID 59828729

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-4-[4-(4-phenylimidazol-1-yl)-1,7-naphthyridin-8-yl]benzamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-4-[4-(4-phenylimidazol-1-yl)-1,7-naphthyridin-8-yl]benzamide (CID 166625378) is 2-[(4-hydroxycyclohexyl)amino]-4-[4-(4-phenylimidazol-1-yl)-1,7-naphthyridin-8-yl]benzamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-4-[4-(4-phenylimidazol-1-yl)-1,7-naphthyridin-8-yl]benzamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-4-[4-(4-phenylimidazol-1-yl)-1,7-naphthyridin-8-yl]benzamide is NC(=O)c1ccc(-c2nccc3c(-n4cnc(-c5ccccc5)c4)ccnc23)cc1NC1CCC(O)CC1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-4-[4-(4-phenylimidazol-1-yl)-1,7-naphthyridin-8-yl]benzamide?
The InChIKey is ZWEQWORVAPXCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O2/c31-30(38)23-11-6-20(16-25(23)35-21-7-9-22(37)10-8-21)28-29-24(12-14-32-28)27(13-15-33-29)36-17-26(34-18-36)19-4-2-1-3-5-19/h1-6,11-18,21-22,35,37H,7-10H2,(H2,31,38).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-4-[4-(4-phenylimidazol-1-yl)-1,7-naphthyridin-8-yl]benzamide?
2-[(4-hydroxycyclohexyl)amino]-4-[4-(4-phenylimidazol-1-yl)-1,7-naphthyridin-8-yl]benzamide has a molecular weight of 504.59 g/mol, XLogP of 4.96, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-4-[4-(4-phenylimidazol-1-yl)-1,7-naphthyridin-8-yl]benzamide is sourced from PubChem (CID 166625378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).