N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide

C23H29N3O3 — CID 91625403

IUPACN-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(OCCOC(C)(C)C)nc1
InChIInChI=1S/C23H29N3O3/c1-17-15-18-7-5-6-8-20(18)26(17)12-11-24-22(27)19-9-10-21(25-16-19)28-13-14-29-23(2,3)4/h5-10,15-16H,11-14H2,1-4H3,(H,24,27)
InChIKeyNMSOIRFIONDTLV-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.97
Rot. Bonds8

About N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide

N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide (PubChem CID 91625403) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide
PubChem CID91625403
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(OCCOC(C)(C)C)nc1
InChIInChI=1S/C23H29N3O3/c1-17-15-18-7-5-6-8-20(18)26(17)12-11-24-22(27)19-9-10-21(25-16-19)28-13-14-29-23(2,3)4/h5-10,15-16H,11-14H2,1-4H3,(H,24,27)
InChIKeyNMSOIRFIONDTLV-UHFFFAOYSA-N
XLogP3.97
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3314807
4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3311967
4-bromo-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 4144460
3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3288194
1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide
CID 90680556
4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 90680568
N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
4-chloro-N-[2-(2-methylindol-1-yl)ethyl]-3-nitrobenzamide
CID 4080837
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 91625401
N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide
CID 90680601
2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide
CID 52659609
N-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815307

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide (CID 91625403) is N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide is Cc1cc2ccccc2n1CCNC(=O)c1ccc(OCCOC(C)(C)C)nc1.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide?
The InChIKey is NMSOIRFIONDTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17-15-18-7-5-6-8-20(18)26(17)12-11-24-22(27)19-9-10-21(25-16-19)28-13-14-29-23(2,3)4/h5-10,15-16H,11-14H2,1-4H3,(H,24,27).
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide?
N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide is sourced from PubChem (CID 91625403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).