(5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C15H17N3O — CID 114407257

IUPAC(5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCN(C(=O)c2c[nH]c3ccc(N)cc23)CC1
InChIInChI=1S/C15H17N3O/c1-10-4-6-18(7-5-10)15(19)13-9-17-14-3-2-11(16)8-12(13)14/h2-4,8-9,17H,5-7,16H2,1H3
InChIKeyAIFVFKWIKAQNLF-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.54
Rot. Bonds1

About (5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 114407257) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID114407257
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCN(C(=O)c2c[nH]c3ccc(N)cc23)CC1
InChIInChI=1S/C15H17N3O/c1-10-4-6-18(7-5-10)15(19)13-9-17-14-3-2-11(16)8-12(13)14/h2-4,8-9,17H,5-7,16H2,1H3
InChIKeyAIFVFKWIKAQNLF-UHFFFAOYSA-N
XLogP2.54
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954842
(5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63156979
3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine
CID 114407791
4-(5-amino-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 66958274
(2-amino-5-hydroxyphenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 102739357
(5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 63116363
(5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585591
(5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 63117009
(3-amino-2-methylphenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407203
5-amino-1H-indole-3-carboxylate
CID 36690512
(6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106667079
(5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 63117029

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 114407257) is (5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC1=CCN(C(=O)c2c[nH]c3ccc(N)cc23)CC1.
What is the InChIKey of (5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is AIFVFKWIKAQNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-4-6-18(7-5-10)15(19)13-9-17-14-3-2-11(16)8-12(13)14/h2-4,8-9,17H,5-7,16H2,1H3.
What are the key properties of (5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 255.32 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 114407257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).