2-amino-N-methyl-6-[methyl-(2-morpholin-4-ylacetyl)amino]-1H-indole-3-carboxamide

C17H23N5O3 — CID 123476896

IUPAC2-amino-N-methyl-6-[methyl-(2-morpholin-4-ylacetyl)amino]-1H-indole-3-carboxamide
SMILESCNC(=O)c1c(N)[nH]c2cc(N(C)C(=O)CN3CCOCC3)ccc12
InChIInChI=1S/C17H23N5O3/c1-19-17(24)15-12-4-3-11(9-13(12)20-16(15)18)21(2)14(23)10-22-5-7-25-8-6-22/h3-4,9,20H,5-8,10,18H2,1-2H3,(H,19,24)
InChIKeyCIPJHSNZWPVWLL-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.40
Rot. Bonds4

About 2-amino-N-methyl-6-[methyl-(2-morpholin-4-ylacetyl)amino]-1H-indole-3-carboxamide

2-amino-N-methyl-6-[methyl-(2-morpholin-4-ylacetyl)amino]-1H-indole-3-carboxamide (PubChem CID 123476896) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-amino-N-methyl-6-[methyl-(2-morpholin-4-ylacetyl)amino]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-6-[methyl-(2-morpholin-4-ylacetyl)amino]-1H-indole-3-carboxamide
PubChem CID123476896
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name2-amino-N-methyl-6-[methyl-(2-morpholin-4-ylacetyl)amino]-1H-indole-3-carboxamide
SMILESCNC(=O)c1c(N)[nH]c2cc(N(C)C(=O)CN3CCOCC3)ccc12
InChIInChI=1S/C17H23N5O3/c1-19-17(24)15-12-4-3-11(9-13(12)20-16(15)18)21(2)14(23)10-22-5-7-25-8-6-22/h3-4,9,20H,5-8,10,18H2,1-2H3,(H,19,24)
InChIKeyCIPJHSNZWPVWLL-UHFFFAOYSA-N
XLogP0.40
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-6-[methyl-(2-morpholin-4-ylacetyl)amino]-1H-indole-3-carboxamide?
The IUPAC name of 2-amino-N-methyl-6-[methyl-(2-morpholin-4-ylacetyl)amino]-1H-indole-3-carboxamide (CID 123476896) is 2-amino-N-methyl-6-[methyl-(2-morpholin-4-ylacetyl)amino]-1H-indole-3-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-6-[methyl-(2-morpholin-4-ylacetyl)amino]-1H-indole-3-carboxamide?
The canonical SMILES for 2-amino-N-methyl-6-[methyl-(2-morpholin-4-ylacetyl)amino]-1H-indole-3-carboxamide is CNC(=O)c1c(N)[nH]c2cc(N(C)C(=O)CN3CCOCC3)ccc12.
What is the InChIKey of 2-amino-N-methyl-6-[methyl-(2-morpholin-4-ylacetyl)amino]-1H-indole-3-carboxamide?
The InChIKey is CIPJHSNZWPVWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-19-17(24)15-12-4-3-11(9-13(12)20-16(15)18)21(2)14(23)10-22-5-7-25-8-6-22/h3-4,9,20H,5-8,10,18H2,1-2H3,(H,19,24).
What are the key properties of 2-amino-N-methyl-6-[methyl-(2-morpholin-4-ylacetyl)amino]-1H-indole-3-carboxamide?
2-amino-N-methyl-6-[methyl-(2-morpholin-4-ylacetyl)amino]-1H-indole-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-6-[methyl-(2-morpholin-4-ylacetyl)amino]-1H-indole-3-carboxamide is sourced from PubChem (CID 123476896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).