N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide

C20H22N4O — CID 109203848

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C20H22N4O/c25-20(19-13-16(8-10-21-19)24-11-3-4-12-24)22-9-7-15-14-23-18-6-2-1-5-17(15)18/h1-2,5-6,8,10,13-14,23H,3-4,7,9,11-12H2,(H,22,25)
InChIKeyYEZFIEBIXCSZKC-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.14
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 109203848) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID109203848
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C20H22N4O/c25-20(19-13-16(8-10-21-19)24-11-3-4-12-24)22-9-7-15-14-23-18-6-2-1-5-17(15)18/h1-2,5-6,8,10,13-14,23H,3-4,7,9,11-12H2,(H,22,25)
InChIKeyYEZFIEBIXCSZKC-UHFFFAOYSA-N
XLogP3.14
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109208888
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 84576774
6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
CID 109123273
4-(tert-butylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109215296
4-[[(2R)-2-hydroxypropyl]amino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 95556692
4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109215313
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088487
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088496
N-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2109632
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087316
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid
CID 53270372
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide (CID 109203848) is N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cc(N2CCCC2)ccn1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is YEZFIEBIXCSZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(19-13-16(8-10-21-19)24-11-3-4-12-24)22-9-7-15-14-23-18-6-2-1-5-17(15)18/h1-2,5-6,8,10,13-14,23H,3-4,7,9,11-12H2,(H,22,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 109203848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).