6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide

C17H17N3O2 — CID 68629889

IUPAC6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCc2ccc3[nH]ccc3c2)cn1
InChIInChI=1S/C17H17N3O2/c1-2-22-16-6-4-14(11-19-16)17(21)20-10-12-3-5-15-13(9-12)7-8-18-15/h3-9,11,18H,2,10H2,1H3,(H,20,21)
InChIKeyMPCCTTDGVYMETD-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.89
Rot. Bonds5

About 6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide

6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide (PubChem CID 68629889) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide
PubChem CID68629889
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCc2ccc3[nH]ccc3c2)cn1
InChIInChI=1S/C17H17N3O2/c1-2-22-16-6-4-14(11-19-16)17(21)20-10-12-3-5-15-13(9-12)7-8-18-15/h3-9,11,18H,2,10H2,1H3,(H,20,21)
InChIKeyMPCCTTDGVYMETD-UHFFFAOYSA-N
XLogP2.89
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(1H-indol-5-ylmethyl)carbamate
CID 59248610
N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 68637896
N-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 68637610
6-ethoxy-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 86849292
4-[(1H-indole-5-carbonylamino)methyl]benzoic acid
CID 141342691
6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide
CID 47047914
N-(1H-indol-5-ylmethyl)-5-(4-methylphenoxy)pyridine-2-carboxamide
CID 68637316
6-ethoxy-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 46488664
N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 78899959
N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63718652
methyl 4-[(1H-indol-5-ylmethylamino)methyl]benzoate
CID 118070071
N-[(3-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63716942

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide (CID 68629889) is 6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide is CCOc1ccc(C(=O)NCc2ccc3[nH]ccc3c2)cn1.
What is the InChIKey of 6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide?
The InChIKey is MPCCTTDGVYMETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-22-16-6-4-14(11-19-16)17(21)20-10-12-3-5-15-13(9-12)7-8-18-15/h3-9,11,18H,2,10H2,1H3,(H,20,21).
What are the key properties of 6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide?
6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 68629889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).