N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]methyl]-2-methylindole-3-carboxamide

C29H38N4O3 — CID 167042244

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]methyl]-2-methylindole-3-carboxamide
SMILESCOC1CN(C2CCC(Cn3c(C)c(C(=O)NCc4c(C)cc(C)[nH]c4=O)c4ccccc43)CC2)C1
InChIInChI=1S/C29H38N4O3/c1-18-13-19(2)31-28(34)25(18)14-30-29(35)27-20(3)33(26-8-6-5-7-24(26)27)15-21-9-11-22(12-10-21)32-16-23(17-32)36-4/h5-8,13,21-23H,9-12,14-17H2,1-4H3,(H,30,35)(H,31,34)
InChIKeyJCYWUWVRSRPJES-UHFFFAOYSA-N
MW490.65 g/mol
LogP4.07
Rot. Bonds7

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]methyl]-2-methylindole-3-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]methyl]-2-methylindole-3-carboxamide (PubChem CID 167042244) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]methyl]-2-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]methyl]-2-methylindole-3-carboxamide
PubChem CID167042244
Molecular FormulaC29H38N4O3
Molecular Weight490.65 g/mol
Exact Mass490.29
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]methyl]-2-methylindole-3-carboxamide
SMILESCOC1CN(C2CCC(Cn3c(C)c(C(=O)NCc4c(C)cc(C)[nH]c4=O)c4ccccc43)CC2)C1
InChIInChI=1S/C29H38N4O3/c1-18-13-19(2)31-28(34)25(18)14-30-29(35)27-20(3)33(26-8-6-5-7-24(26)27)15-21-9-11-22(12-10-21)32-16-23(17-32)36-4/h5-8,13,21-23H,9-12,14-17H2,1-4H3,(H,30,35)(H,31,34)
InChIKeyJCYWUWVRSRPJES-UHFFFAOYSA-N
XLogP4.07
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[1-(1-methylpiperidin-4-yl)sulfinylpiperidin-4-yl]methyl]indole-3-carboxamide
CID 144791528
1-[[1-(3,3-difluorocyclobutyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 144791400
N-[(4-cyclopropylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[4-(3-methoxyazetidin-1-yl)cyclohexyl]ethyl]-2-methylindole-3-carboxamide
CID 166666495
N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[4-(oxetan-3-ylamino)cyclohexyl]methyl]indole-3-carboxamide
CID 167042207
ethyl 2-[4-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]methyl]piperidin-1-yl]acetate
CID 126639379
1-[[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 144791463
1-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 144791389
N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide
CID 144791505
N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1-ethylsulfinylpiperidin-4-yl)methyl]-2-methylindole-3-carboxamide
CID 144791405
1-[[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 144791435
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-propan-2-ylindole-3-carboxamide
CID 122186508
1-[[1-(3,3-difluoropyrrolidine-1-carbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 144791429

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]methyl]-2-methylindole-3-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]methyl]-2-methylindole-3-carboxamide (CID 167042244) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]methyl]-2-methylindole-3-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]methyl]-2-methylindole-3-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]methyl]-2-methylindole-3-carboxamide is COC1CN(C2CCC(Cn3c(C)c(C(=O)NCc4c(C)cc(C)[nH]c4=O)c4ccccc43)CC2)C1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]methyl]-2-methylindole-3-carboxamide?
The InChIKey is JCYWUWVRSRPJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3/c1-18-13-19(2)31-28(34)25(18)14-30-29(35)27-20(3)33(26-8-6-5-7-24(26)27)15-21-9-11-22(12-10-21)32-16-23(17-32)36-4/h5-8,13,21-23H,9-12,14-17H2,1-4H3,(H,30,35)(H,31,34).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]methyl]-2-methylindole-3-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]methyl]-2-methylindole-3-carboxamide has a molecular weight of 490.65 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]methyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 167042244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).