N-[1-[[6-(2-aminoethoxy)-3-pyridinyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

C25H35N5O4 — CID 170259994

IUPACN-[1-[[6-(2-aminoethoxy)-3-pyridinyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(OCCN)nc1
InChIInChI=1S/C25H35N5O4/c1-5-6-7-17(23(32)28-16-8-9-20(27-14-16)34-11-10-26)30-24(33)22-15(2)21-18(29-22)12-25(3,4)13-19(21)31/h8-9,14,17,29H,5-7,10-13,26H2,1-4H3,(H,28,32)(H,30,33)
InChIKeyJBJZSRREPKULDQ-UHFFFAOYSA-N
MW469.59 g/mol
LogP3.14
Rot. Bonds10

About N-[1-[[6-(2-aminoethoxy)-3-pyridinyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

N-[1-[[6-(2-aminoethoxy)-3-pyridinyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (PubChem CID 170259994) has the molecular formula C25H35N5O4 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[1-[[6-(2-aminoethoxy)-3-pyridinyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[6-(2-aminoethoxy)-3-pyridinyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
PubChem CID170259994
Molecular FormulaC25H35N5O4
Molecular Weight469.59 g/mol
Exact Mass469.27
IUPAC NameN-[1-[[6-(2-aminoethoxy)-3-pyridinyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(OCCN)nc1
InChIInChI=1S/C25H35N5O4/c1-5-6-7-17(23(32)28-16-8-9-20(27-14-16)34-11-10-26)30-24(33)22-15(2)21-18(29-22)12-25(3,4)13-19(21)31/h8-9,14,17,29H,5-7,10-13,26H2,1-4H3,(H,28,32)(H,30,33)
InChIKeyJBJZSRREPKULDQ-UHFFFAOYSA-N
XLogP3.14
TPSA139.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[1-[[6-(2-aminoethoxy)-3-pyridinyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-(2-aminoethoxy)-3-pyridinyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[[6-(2-aminoethoxy)-3-pyridinyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (CID 170259994) is N-[1-[[6-(2-aminoethoxy)-3-pyridinyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[[6-(2-aminoethoxy)-3-pyridinyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[[6-(2-aminoethoxy)-3-pyridinyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(OCCN)nc1.
What is the InChIKey of N-[1-[[6-(2-aminoethoxy)-3-pyridinyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The InChIKey is JBJZSRREPKULDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O4/c1-5-6-7-17(23(32)28-16-8-9-20(27-14-16)34-11-10-26)30-24(33)22-15(2)21-18(29-22)12-25(3,4)13-19(21)31/h8-9,14,17,29H,5-7,10-13,26H2,1-4H3,(H,28,32)(H,30,33).
What are the key properties of N-[1-[[6-(2-aminoethoxy)-3-pyridinyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
N-[1-[[6-(2-aminoethoxy)-3-pyridinyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 3.14, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[6-(2-aminoethoxy)-3-pyridinyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 170259994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).