N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1H-indole-5-carboxamide

C17H16N4O2 — CID 154860077

IUPACN-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1H-indole-5-carboxamide
SMILESO=C(CNC(=O)c1ccc2[nH]ccc2c1)NCc1ccncc1
InChIInChI=1S/C17H16N4O2/c22-16(20-10-12-3-6-18-7-4-12)11-21-17(23)14-1-2-15-13(9-14)5-8-19-15/h1-9,19H,10-11H2,(H,20,22)(H,21,23)
InChIKeyZWLAUHUQWHVPNK-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.61
Rot. Bonds5

About N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1H-indole-5-carboxamide

N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1H-indole-5-carboxamide (PubChem CID 154860077) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1H-indole-5-carboxamide
PubChem CID154860077
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1H-indole-5-carboxamide
SMILESO=C(CNC(=O)c1ccc2[nH]ccc2c1)NCc1ccncc1
InChIInChI=1S/C17H16N4O2/c22-16(20-10-12-3-6-18-7-4-12)11-21-17(23)14-1-2-15-13(9-14)5-8-19-15/h1-9,19H,10-11H2,(H,20,22)(H,21,23)
InChIKeyZWLAUHUQWHVPNK-UHFFFAOYSA-N
XLogP1.61
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1H-indole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1H-indole-5-carbonylamino)methyl]benzoic acid
CID 141342691
N-(2-pyridin-4-ylethyl)-1H-indole-6-carboxamide
CID 63769836
N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 112993165
N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 63716738
N-[(3-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63716942
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
N-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide
CID 42778117
N-[(2,4-diaminoquinazolin-6-yl)methyl]-1H-indole-5-carboxamide
CID 172622957
N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63718652
N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
CID 63718286
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1H-indole-5-carboxamide (CID 154860077) is N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1H-indole-5-carboxamide is O=C(CNC(=O)c1ccc2[nH]ccc2c1)NCc1ccncc1.
What is the InChIKey of N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1H-indole-5-carboxamide?
The InChIKey is ZWLAUHUQWHVPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-16(20-10-12-3-6-18-7-4-12)11-21-17(23)14-1-2-15-13(9-14)5-8-19-15/h1-9,19H,10-11H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1H-indole-5-carboxamide?
N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1H-indole-5-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 154860077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).