propan-2-yl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate

C29H38N4O5 — CID 162663777

IUPACpropan-2-yl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(C(=O)OC(C)C)CC2)c2ccccc12
InChIInChI=1S/C29H38N4O5/c1-17(2)38-29(36)32-13-11-21(12-14-32)19(4)33-20(5)26(22-9-7-8-10-24(22)33)28(35)30-16-23-25(37-6)15-18(3)31-27(23)34/h7-10,15,17,19,21H,11-14,16H2,1-6H3,(H,30,35)(H,31,34)/t19-/m1/s1
InChIKeyARVPXNDKJJUDGF-LJQANCHMSA-N
MW522.65 g/mol
LogP4.70
Rot. Bonds7

About propan-2-yl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate

propan-2-yl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate (PubChem CID 162663777) has the molecular formula C29H38N4O5 and a molecular weight of 522.65 g/mol. Its IUPAC name is propan-2-yl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate
PubChem CID162663777
Molecular FormulaC29H38N4O5
Molecular Weight522.65 g/mol
Exact Mass522.28
IUPAC Namepropan-2-yl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(C(=O)OC(C)C)CC2)c2ccccc12
InChIInChI=1S/C29H38N4O5/c1-17(2)38-29(36)32-13-11-21(12-14-32)19(4)33-20(5)26(22-9-7-8-10-24(22)33)28(35)30-16-23-25(37-6)15-18(3)31-27(23)34/h7-10,15,17,19,21H,11-14,16H2,1-6H3,(H,30,35)(H,31,34)/t19-/m1/s1
InChIKeyARVPXNDKJJUDGF-LJQANCHMSA-N
XLogP4.70
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.65
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate with MolForge

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Related Compounds

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(R)-1-(1-(1-(2,2-difluoropropyl)piperidin-4-yl)ethyl)-N-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1H-indole-3-carboxamide
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N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide
CID 117807842
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamide
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N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indole-3-carboxamide
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N-[(4-ethylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 142589853
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 142589857
2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
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1-[(1R)-1-[4-(3-methoxyazetidin-1-yl)cyclohexyl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide
CID 142589898

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate (CID 162663777) is propan-2-yl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(C(=O)OC(C)C)CC2)c2ccccc12.
What is the InChIKey of propan-2-yl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate?
The InChIKey is ARVPXNDKJJUDGF-LJQANCHMSA-N. The full InChI is InChI=1S/C29H38N4O5/c1-17(2)38-29(36)32-13-11-21(12-14-32)19(4)33-20(5)26(22-9-7-8-10-24(22)33)28(35)30-16-23-25(37-6)15-18(3)31-27(23)34/h7-10,15,17,19,21H,11-14,16H2,1-6H3,(H,30,35)(H,31,34)/t19-/m1/s1.
What are the key properties of propan-2-yl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate?
propan-2-yl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate has a molecular weight of 522.65 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 162663777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).