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

C22H28N4O3 — CID 24613275

IUPAC3,6,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(N3CCOCC3)nc2)[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C22H28N4O3/c1-14-19-16(10-22(2,3)11-17(19)27)25-20(14)21(28)24-13-15-4-5-18(23-12-15)26-6-8-29-9-7-26/h4-5,12,25H,6-11,13H2,1-3H3,(H,24,28)
InChIKeyKECLNAVRJJFUPW-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.64
Rot. Bonds4

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

3,6,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (PubChem CID 24613275) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3,6,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,6,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
PubChem CID24613275
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name3,6,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(N3CCOCC3)nc2)[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C22H28N4O3/c1-14-19-16(10-22(2,3)11-17(19)27)25-20(14)21(28)24-13-15-4-5-18(23-12-15)26-6-8-29-9-7-26/h4-5,12,25H,6-11,13H2,1-3H3,(H,24,28)
InChIKeyKECLNAVRJJFUPW-UHFFFAOYSA-N
XLogP2.64
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 3,6,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (CID 24613275) is 3,6,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 3,6,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 3,6,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is Cc1c(C(=O)NCc2ccc(N3CCOCC3)nc2)[nH]c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 3,6,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The InChIKey is KECLNAVRJJFUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-14-19-16(10-22(2,3)11-17(19)27)25-20(14)21(28)24-13-15-4-5-18(23-12-15)26-6-8-29-9-7-26/h4-5,12,25H,6-11,13H2,1-3H3,(H,24,28).
What are the key properties of 3,6,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
3,6,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 24613275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).