N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

C17H17N3O2 — CID 16763802

IUPACN-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H17N3O2/c1-11-13(14-4-2-3-5-15(14)20-11)8-9-18-17(22)12-6-7-16(21)19-10-12/h2-7,10,20H,8-9H2,1H3,(H,18,22)(H,19,21)
InChIKeySJWYPBBKAVINBY-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.14
Rot. Bonds4

About N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 16763802) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID16763802
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H17N3O2/c1-11-13(14-4-2-3-5-15(14)20-11)8-9-18-17(22)12-6-7-16(21)19-10-12/h2-7,10,20H,8-9H2,1H3,(H,18,22)(H,19,21)
InChIKeySJWYPBBKAVINBY-UHFFFAOYSA-N
XLogP2.14
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 155128767
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115173271
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 2090847
methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate
CID 71975738
2-(ethylamino)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115158041

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 16763802) is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SJWYPBBKAVINBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-13(14-4-2-3-5-15(14)20-11)8-9-18-17(22)12-6-7-16(21)19-10-12/h2-7,10,20H,8-9H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 16763802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).