N-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide

C19H21N3O — CID 71967911

IUPACN-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccccn1)NCCc1cc2ccccc2[nH]1
InChIInChI=1S/C19H21N3O/c23-19(10-5-8-16-7-3-4-12-20-16)21-13-11-17-14-15-6-1-2-9-18(15)22-17/h1-4,6-7,9,12,14,22H,5,8,10-11,13H2,(H,21,23)
InChIKeyQCWYOLITPPVQKI-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.24
Rot. Bonds7

About N-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide

N-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide (PubChem CID 71967911) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide
PubChem CID71967911
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccccn1)NCCc1cc2ccccc2[nH]1
InChIInChI=1S/C19H21N3O/c23-19(10-5-8-16-7-3-4-12-20-16)21-13-11-17-14-15-6-1-2-9-18(15)22-17/h1-4,6-7,9,12,14,22H,5,8,10-11,13H2,(H,21,23)
InChIKeyQCWYOLITPPVQKI-UHFFFAOYSA-N
XLogP3.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
4-[3-[2-(1H-indol-2-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 75516623
N-[2-(1H-indol-2-yl)ethyl]acetamide
CID 10465460
5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid
CID 123323650
1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111192288
4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 86920418
N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-ylbutanamide
CID 71851042
1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea
CID 6456936
5-amino-N-(2-pyridin-2-ylethyl)hexanamide
CID 82848295
3-[2-(1H-indol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065768
1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea
CID 75385727
disodium bis(4-(1H-indol-2-yl)butanoate)
CID 141404952

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide?
The IUPAC name of N-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide (CID 71967911) is N-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide.
What is the SMILES notation for N-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide?
The canonical SMILES for N-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide is O=C(CCCc1ccccn1)NCCc1cc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide?
The InChIKey is QCWYOLITPPVQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-19(10-5-8-16-7-3-4-12-20-16)21-13-11-17-14-15-6-1-2-9-18(15)22-17/h1-4,6-7,9,12,14,22H,5,8,10-11,13H2,(H,21,23).
What are the key properties of N-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide?
N-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide has a molecular weight of 307.40 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide is sourced from PubChem (CID 71967911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).