3-[(2,6-dimethylbenzoyl)-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

C33H40N4O2 — CID 66798409

IUPAC3-[(2,6-dimethylbenzoyl)-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N(C)C(=O)c3c(C)cccc3C)CC4)CC2)cc(C)n1
InChIInChI=1S/C33H40N4O2/c1-21-8-7-9-22(2)31(21)33(39)36(6)30-13-12-25-10-11-26(20-29(25)30)32(38)35(5)27-14-16-37(17-15-27)28-18-23(3)34-24(4)19-28/h7-11,18-20,27,30H,12-17H2,1-6H3
InChIKeyVCOZYQLRGCMNHQ-UHFFFAOYSA-N
MW524.71 g/mol
LogP5.82
Rot. Bonds5

About 3-[(2,6-dimethylbenzoyl)-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

3-[(2,6-dimethylbenzoyl)-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 66798409) has the molecular formula C33H40N4O2 and a molecular weight of 524.71 g/mol. Its IUPAC name is 3-[(2,6-dimethylbenzoyl)-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name3-[(2,6-dimethylbenzoyl)-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID66798409
Molecular FormulaC33H40N4O2
Molecular Weight524.71 g/mol
Exact Mass524.32
IUPAC Name3-[(2,6-dimethylbenzoyl)-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N(C)C(=O)c3c(C)cccc3C)CC4)CC2)cc(C)n1
InChIInChI=1S/C33H40N4O2/c1-21-8-7-9-22(2)31(21)33(39)36(6)30-13-12-25-10-11-26(20-29(25)30)32(38)35(5)27-14-16-37(17-15-27)28-18-23(3)34-24(4)19-28/h7-11,18-20,27,30H,12-17H2,1-6H3
InChIKeyVCOZYQLRGCMNHQ-UHFFFAOYSA-N
XLogP5.82
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US9809574, Example 164
CID 121453278
US9809574, Example 118
CID 121453431
US9809574, Example 162
CID 121454068
3-(6-Ethyl-5-methylpyridin-2-YL)-N-methyl-N-(1-methylpiperidin-4-YL)benzamide
CID 122568101
N-methyl-N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 56941151
(3R)-3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 56941291
3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-[1-(2,6-dimethylpyridin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 56941442
N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 56941726
(3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 56941728
(3R)-N-Methyl-N-(1-pyridin-4-yl-piperidin-4-yl)-3-(3,3,3-trifluoropropanoyl-amino)-2,3-dihydro-1H-indene-5-carboxylic acid amide
CID 56941868
(1R)-1-[(2-chlorobenzoyl)-propan-2-ylamino]-6-fluoro-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 56942757
(3R)-3-[3-cyclopentylpropanoyl(methyl)amino]-N-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 56942922

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylbenzoyl)-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of 3-[(2,6-dimethylbenzoyl)-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (CID 66798409) is 3-[(2,6-dimethylbenzoyl)-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for 3-[(2,6-dimethylbenzoyl)-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for 3-[(2,6-dimethylbenzoyl)-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N(C)C(=O)c3c(C)cccc3C)CC4)CC2)cc(C)n1.
What is the InChIKey of 3-[(2,6-dimethylbenzoyl)-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is VCOZYQLRGCMNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O2/c1-21-8-7-9-22(2)31(21)33(39)36(6)30-13-12-25-10-11-26(20-29(25)30)32(38)35(5)27-14-16-37(17-15-27)28-18-23(3)34-24(4)19-28/h7-11,18-20,27,30H,12-17H2,1-6H3.
What are the key properties of 3-[(2,6-dimethylbenzoyl)-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
3-[(2,6-dimethylbenzoyl)-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 524.71 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylbenzoyl)-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 66798409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).