N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide

C30H32N4O4 — CID 11555320

IUPACN-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide
SMILESCOc1c(NC(=O)c2cc3cccc(Oc4ccncc4)c3n2C)cc(C(C)(C)C)cc1N1CCCC1=O
InChIInChI=1S/C30H32N4O4/c1-30(2,3)20-17-22(28(37-5)23(18-20)34-15-7-10-26(34)35)32-29(36)24-16-19-8-6-9-25(27(19)33(24)4)38-21-11-13-31-14-12-21/h6,8-9,11-14,16-18H,7,10,15H2,1-5H3,(H,32,36)
InChIKeyBKJZHMAMVSHVDX-UHFFFAOYSA-N
MW512.61 g/mol
LogP6.05
Rot. Bonds6

About N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide

N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide (PubChem CID 11555320) has the molecular formula C30H32N4O4 and a molecular weight of 512.61 g/mol. Its IUPAC name is N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide.

Molecular Properties

Compound NameN-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide
PubChem CID11555320
Molecular FormulaC30H32N4O4
Molecular Weight512.61 g/mol
Exact Mass512.24
IUPAC NameN-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide
SMILESCOc1c(NC(=O)c2cc3cccc(Oc4ccncc4)c3n2C)cc(C(C)(C)C)cc1N1CCCC1=O
InChIInChI=1S/C30H32N4O4/c1-30(2,3)20-17-22(28(37-5)23(18-20)34-15-7-10-26(34)35)32-29(36)24-16-19-8-6-9-25(27(19)33(24)4)38-21-11-13-31-14-12-21/h6,8-9,11-14,16-18H,7,10,15H2,1-5H3,(H,32,36)
InChIKeyBKJZHMAMVSHVDX-UHFFFAOYSA-N
XLogP6.05
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide?
The IUPAC name of N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide (CID 11555320) is N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide.
What is the SMILES notation for N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide?
The canonical SMILES for N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide is COc1c(NC(=O)c2cc3cccc(Oc4ccncc4)c3n2C)cc(C(C)(C)C)cc1N1CCCC1=O.
What is the InChIKey of N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide?
The InChIKey is BKJZHMAMVSHVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4/c1-30(2,3)20-17-22(28(37-5)23(18-20)34-15-7-10-26(34)35)32-29(36)24-16-19-8-6-9-25(27(19)33(24)4)38-21-11-13-31-14-12-21/h6,8-9,11-14,16-18H,7,10,15H2,1-5H3,(H,32,36).
What are the key properties of N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide?
N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide has a molecular weight of 512.61 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-2-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide is sourced from PubChem (CID 11555320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).