6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide

C15H21N3O2 — CID 61138342

IUPAC6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C15H21N3O2/c1-10(2)18(6-3-7-19)15(20)13-9-17-14-8-11(16)4-5-12(13)14/h4-5,8-10,17,19H,3,6-7,16H2,1-2H3
InChIKeyUQOUUWLEWVUASW-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.98
Rot. Bonds5

About 6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide

6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide (PubChem CID 61138342) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide
PubChem CID61138342
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C15H21N3O2/c1-10(2)18(6-3-7-19)15(20)13-9-17-14-8-11(16)4-5-12(13)14/h4-5,8-10,17,19H,3,6-7,16H2,1-2H3
InChIKeyUQOUUWLEWVUASW-UHFFFAOYSA-N
XLogP1.98
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide
CID 62334013
6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide
CID 61094974
6-amino-N-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-3-carboxamide
CID 63694066
6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 79471867
6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide
CID 61116492
6-amino-N,N-bis(cyanomethyl)-1H-indole-3-carboxamide
CID 61090071
N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 113206400
3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid
CID 60830552
N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide
CID 61039022
4-carbamothioyl-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54999256
N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-6-carboxamide
CID 55229836
6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 61095235

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide (CID 61138342) is 6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide is CC(C)N(CCCO)C(=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide?
The InChIKey is UQOUUWLEWVUASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)18(6-3-7-19)15(20)13-9-17-14-8-11(16)4-5-12(13)14/h4-5,8-10,17,19H,3,6-7,16H2,1-2H3.
What are the key properties of 6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide?
6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide is sourced from PubChem (CID 61138342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).