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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Related Compounds

N-[4-[[(5,6-diethoxy-2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-methyl-2-morpholin-4-ylacetamide
CID 135585818
2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide
CID 123744950
methoxymethane;N-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]-N-methyl-2-morpholin-4-ylacetamide
CID 143227695
N-methyl-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-phenylacetamide
CID 60503563
N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
CID 22569644
N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43375589
N-(4-aminophenyl)-N-methyl-2-(3-oxomorpholin-4-yl)acetamide
CID 79468372
N-[2-(1-ethoxyethenyl)phenyl]-N-methyl-2-morpholin-4-ylacetamide
CID 70176279
(2-amino-1H-indol-3-yl)-morpholin-4-ylmethanone
CID 135038079
1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanone
CID 718235
phosphono 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
CID 137497929
3-chloro-N-[(1S,2R)-2-[[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 58714368

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).