N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide

C13H15N3O3 — CID 107362608

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCC(O)C(N)=O)c2ccccc21
InChIInChI=1S/C13H15N3O3/c1-16-7-9(8-4-2-3-5-10(8)16)13(19)15-6-11(17)12(14)18/h2-5,7,11,17H,6H2,1H3,(H2,14,18)(H,15,19)
InChIKeyAWHXAZJHWSKFDL-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.25
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide (PubChem CID 107362608) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide
PubChem CID107362608
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCC(O)C(N)=O)c2ccccc21
InChIInChI=1S/C13H15N3O3/c1-16-7-9(8-4-2-3-5-10(8)16)13(19)15-6-11(17)12(14)18/h2-5,7,11,17H,6H2,1H3,(H2,14,18)(H,15,19)
InChIKeyAWHXAZJHWSKFDL-UHFFFAOYSA-N
XLogP-0.25
TPSA97.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide
CID 115271613
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide
CID 107845947
N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide
CID 93033635
3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 43171666
2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide
CID 18385421
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide
CID 106177055
2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 66173597
N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 64911107
2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 71788673

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide (CID 107362608) is N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide is Cn1cc(C(=O)NCC(O)C(N)=O)c2ccccc21.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide?
The InChIKey is AWHXAZJHWSKFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-16-7-9(8-4-2-3-5-10(8)16)13(19)15-6-11(17)12(14)18/h2-5,7,11,17H,6H2,1H3,(H2,14,18)(H,15,19).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide is sourced from PubChem (CID 107362608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).