1-ethyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide

C30H38N6O2 — CID 86274360

IUPAC1-ethyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide
SMILESCCN1CCc2c(C(=O)NCc3c(C(C)C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21
InChIInChI=1S/C30H38N6O2/c1-5-35-11-8-23-25(29(37)33-18-26-24(19(2)3)14-20(4)34-30(26)38)15-22(16-27(23)35)21-6-7-28(32-17-21)36-12-9-31-10-13-36/h6-7,14-17,19,31H,5,8-13,18H2,1-4H3,(H,33,37)(H,34,38)
InChIKeyUYRAEGGTDBGUDJ-UHFFFAOYSA-N
MW514.67 g/mol
LogP3.59
Rot. Bonds7

About 1-ethyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide

1-ethyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 86274360) has the molecular formula C30H38N6O2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 1-ethyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide
PubChem CID86274360
Molecular FormulaC30H38N6O2
Molecular Weight514.67 g/mol
Exact Mass514.31
IUPAC Name1-ethyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide
SMILESCCN1CCc2c(C(=O)NCc3c(C(C)C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21
InChIInChI=1S/C30H38N6O2/c1-5-35-11-8-23-25(29(37)33-18-26-24(19(2)3)14-20(4)34-30(26)38)15-22(16-27(23)35)21-6-7-28(32-17-21)36-12-9-31-10-13-36/h6-7,14-17,19,31H,5,8-13,18H2,1-4H3,(H,33,37)(H,34,38)
InChIKeyUYRAEGGTDBGUDJ-UHFFFAOYSA-N
XLogP3.59
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.67
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide (CID 86274360) is 1-ethyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide is CCN1CCc2c(C(=O)NCc3c(C(C)C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21.
What is the InChIKey of 1-ethyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is UYRAEGGTDBGUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O2/c1-5-35-11-8-23-25(29(37)33-18-26-24(19(2)3)14-20(4)34-30(26)38)15-22(16-27(23)35)21-6-7-28(32-17-21)36-12-9-31-10-13-36/h6-7,14-17,19,31H,5,8-13,18H2,1-4H3,(H,33,37)(H,34,38).
What are the key properties of 1-ethyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide?
1-ethyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 514.67 g/mol, XLogP of 3.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 86274360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).