3,6,6-trimethyl-4-oxo-N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide

C23H30N4O3 — CID 171356327

IUPAC3,6,6-trimethyl-4-oxo-N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide
SMILESCCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccccn1
InChIInChI=1S/C23H30N4O3/c1-5-6-9-15(21(29)27-18-10-7-8-11-24-18)26-22(30)20-14(2)19-16(25-20)12-23(3,4)13-17(19)28/h7-8,10-11,15,25H,5-6,9,12-13H2,1-4H3,(H,26,30)(H,24,27,29)
InChIKeyLTYZKZWCXPDPJY-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.80
Rot. Bonds7

About 3,6,6-trimethyl-4-oxo-N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide

3,6,6-trimethyl-4-oxo-N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide (PubChem CID 171356327) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3,6,6-trimethyl-4-oxo-N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,6,6-trimethyl-4-oxo-N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide
PubChem CID171356327
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name3,6,6-trimethyl-4-oxo-N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide
SMILESCCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccccn1
InChIInChI=1S/C23H30N4O3/c1-5-6-9-15(21(29)27-18-10-7-8-11-24-18)26-22(30)20-14(2)19-16(25-20)12-23(3,4)13-17(19)28/h7-8,10-11,15,25H,5-6,9,12-13H2,1-4H3,(H,26,30)(H,24,27,29)
InChIKeyLTYZKZWCXPDPJY-UHFFFAOYSA-N
XLogP3.80
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,6,6-trimethyl-4-oxo-N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide with MolForge

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-4-oxo-N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 3,6,6-trimethyl-4-oxo-N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide (CID 171356327) is 3,6,6-trimethyl-4-oxo-N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 3,6,6-trimethyl-4-oxo-N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 3,6,6-trimethyl-4-oxo-N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide is CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccccn1.
What is the InChIKey of 3,6,6-trimethyl-4-oxo-N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide?
The InChIKey is LTYZKZWCXPDPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-5-6-9-15(21(29)27-18-10-7-8-11-24-18)26-22(30)20-14(2)19-16(25-20)12-23(3,4)13-17(19)28/h7-8,10-11,15,25H,5-6,9,12-13H2,1-4H3,(H,26,30)(H,24,27,29).
What are the key properties of 3,6,6-trimethyl-4-oxo-N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide?
3,6,6-trimethyl-4-oxo-N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-4-oxo-N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 171356327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).