N-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide

C16H19N3O2 — CID 135171326

IUPACN-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1COC=C(N)C1
InChIInChI=1S/C16H19N3O2/c1-2-19(13-8-12(17)9-21-10-13)16(20)15-7-11-5-3-4-6-14(11)18-15/h3-7,9,13,18H,2,8,10,17H2,1H3/t13-/m1/s1
InChIKeyVSHZMPTZSTYRRB-CYBMUJFWSA-N
MW285.35 g/mol
LogP2.22
Rot. Bonds3

About N-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide

N-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide (PubChem CID 135171326) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide
PubChem CID135171326
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1COC=C(N)C1
InChIInChI=1S/C16H19N3O2/c1-2-19(13-8-12(17)9-21-10-13)16(20)15-7-11-5-3-4-6-14(11)18-15/h3-7,9,13,18H,2,8,10,17H2,1H3/t13-/m1/s1
InChIKeyVSHZMPTZSTYRRB-CYBMUJFWSA-N
XLogP2.22
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide
CID 135171025
tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate
CID 135170778
N-[(1S,3R)-3-[(4-amino-3-methylphenyl)methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171020
N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171015
N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
N-ethyl-N-phenyl-1H-indole-2-carboxamide
CID 43398536
N-[(5S)-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide
CID 166559351
N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide
CID 90606973
N-ethyl-N-[(1S)-3-(pyrimidin-2-ylmethylamino)cyclohex-3-en-1-yl]-1H-indole-2-carboxamide
CID 155076942
7-amino-N-cyclopentyl-N-ethyl-1H-indole-2-carboxamide
CID 62057898
N-ethyl-N-[(1S)-3-[(4-methylsulfonylphenyl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide
CID 142389886
N-(2-amino-2-oxoethyl)-N-ethyl-1H-indole-2-carboxamide
CID 103103798

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide (CID 135171326) is N-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide is CCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1COC=C(N)C1.
What is the InChIKey of N-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide?
The InChIKey is VSHZMPTZSTYRRB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-19(13-8-12(17)9-21-10-13)16(20)15-7-11-5-3-4-6-14(11)18-15/h3-7,9,13,18H,2,8,10,17H2,1H3/t13-/m1/s1.
What are the key properties of N-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide?
N-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 135171326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).