7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide

C12H15N3O3 — CID 65309948

IUPAC7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide
SMILESNc1cccc2cc(C(=O)NC(CO)CO)[nH]c12
InChIInChI=1S/C12H15N3O3/c13-9-3-1-2-7-4-10(15-11(7)9)12(18)14-8(5-16)6-17/h1-4,8,15-17H,5-6,13H2,(H,14,18)
InChIKeyGDCCZNHPQWZXNW-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.17
Rot. Bonds4

About 7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide

7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide (PubChem CID 65309948) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide
PubChem CID65309948
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide
SMILESNc1cccc2cc(C(=O)NC(CO)CO)[nH]c12
InChIInChI=1S/C12H15N3O3/c13-9-3-1-2-7-4-10(15-11(7)9)12(18)14-8(5-16)6-17/h1-4,8,15-17H,5-6,13H2,(H,14,18)
InChIKeyGDCCZNHPQWZXNW-UHFFFAOYSA-N
XLogP-0.17
TPSA111.37 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide (CID 65309948) is 7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide is Nc1cccc2cc(C(=O)NC(CO)CO)[nH]c12.
What is the InChIKey of 7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide?
The InChIKey is GDCCZNHPQWZXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-9-3-1-2-7-4-10(15-11(7)9)12(18)14-8(5-16)6-17/h1-4,8,15-17H,5-6,13H2,(H,14,18).
What are the key properties of 7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide?
7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide has a molecular weight of 249.27 g/mol, XLogP of -0.17, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 65309948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).