4-(2-butyl-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide

C29H35N3O3 — CID 66563220

IUPAC4-(2-butyl-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide
SMILESCCCCc1ccc2c(c1)c(-c1ccc(C(N)=O)c(NC3CCC(O)CC3)c1)c1n2C(=O)CCC1
InChIInChI=1S/C29H35N3O3/c1-2-3-5-18-8-15-25-23(16-18)28(26-6-4-7-27(34)32(25)26)19-9-14-22(29(30)35)24(17-19)31-20-10-12-21(33)13-11-20/h8-9,14-17,20-21,31,33H,2-7,10-13H2,1H3,(H2,30,35)
InChIKeyOCMIMUUFMPSFDZ-UHFFFAOYSA-N
MW473.62 g/mol
LogP5.44
Rot. Bonds7

About 4-(2-butyl-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide

4-(2-butyl-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide (PubChem CID 66563220) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is 4-(2-butyl-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide.

Molecular Properties

Compound Name4-(2-butyl-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide
PubChem CID66563220
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Name4-(2-butyl-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide
SMILESCCCCc1ccc2c(c1)c(-c1ccc(C(N)=O)c(NC3CCC(O)CC3)c1)c1n2C(=O)CCC1
InChIInChI=1S/C29H35N3O3/c1-2-3-5-18-8-15-25-23(16-18)28(26-6-4-7-27(34)32(25)26)19-9-14-22(29(30)35)24(17-19)31-20-10-12-21(33)13-11-20/h8-9,14-17,20-21,31,33H,2-7,10-13H2,1H3,(H2,30,35)
InChIKeyOCMIMUUFMPSFDZ-UHFFFAOYSA-N
XLogP5.44
TPSA97.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-(3,3,3-trifluoropropylamino)benzamide
CID 66563218
[4-[2-carbamoyl-5-(8,8-diethyl-6-oxo-7,9-dihydropyrido[1,2-a]indol-10-yl)anilino]cyclohexyl] N-(2-pyrrolidin-1-ylethyl)carbamate
CID 66562824
2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide
CID 24995493
4-[2,2-dimethyl-4-oxo-6-(trifluoromethyl)-1,3-dihydrocarbazol-9-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 154242873
4-(3-fluoro-8,8-dimethyl-6-oxo-7,9-dihydropyrido[1,2-a]indol-10-yl)-2-(pyrrolidin-3-ylamino)benzamide
CID 123899046
[4-[2-carbamoyl-5-(8,8-dimethyl-6-oxo-7,9-dihydropyrido[1,2-a]indol-10-yl)anilino]cyclohexyl] N-(2-morpholin-4-ylethyl)carbamate
CID 66562098
4-(5-ethyl-3,6,6-trimethyl-4-oxo-7H-pyrrolo[3,2-c]pyridin-1-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 142704228
2-[(4-hydroxycyclohexyl)amino]-4-[3-(hydroxymethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]benzamide
CID 59828729
5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 118939356
2-[[4-[3-(dimethylamino)propanoylamino]cyclohexyl]amino]-4-(6,6-dimethyl-8-oxo-2,3,5,7-tetrahydro-1H-cyclopenta[b]indol-4-yl)benzamide
CID 51037560
4-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide
CID 64654110
9-[4-[4-[4-(3,6-dihexylcarbazol-9-yl)phenyl]-2,5-dihexylphenyl]phenyl]-3,6-dihexylcarbazole
CID 154973928

Frequently Asked Questions

What is the IUPAC name of 4-(2-butyl-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide?
The IUPAC name of 4-(2-butyl-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide (CID 66563220) is 4-(2-butyl-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide.
What is the SMILES notation for 4-(2-butyl-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide?
The canonical SMILES for 4-(2-butyl-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide is CCCCc1ccc2c(c1)c(-c1ccc(C(N)=O)c(NC3CCC(O)CC3)c1)c1n2C(=O)CCC1.
What is the InChIKey of 4-(2-butyl-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide?
The InChIKey is OCMIMUUFMPSFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-2-3-5-18-8-15-25-23(16-18)28(26-6-4-7-27(34)32(25)26)19-9-14-22(29(30)35)24(17-19)31-20-10-12-21(33)13-11-20/h8-9,14-17,20-21,31,33H,2-7,10-13H2,1H3,(H2,30,35).
What are the key properties of 4-(2-butyl-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide?
4-(2-butyl-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide has a molecular weight of 473.62 g/mol, XLogP of 5.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butyl-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide is sourced from PubChem (CID 66563220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).