3-[[(2S)-1-(2-piperidin-1-ylpyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide

C25H28N4O2S — CID 95830410

IUPAC3-[[(2S)-1-(2-piperidin-1-ylpyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)c1ccnc(N2CCCCC2)c1
InChIInChI=1S/C25H28N4O2S/c26-24(30)23-20(19-8-2-3-9-21(19)32-23)16-18-7-6-14-29(18)25(31)17-10-11-27-22(15-17)28-12-4-1-5-13-28/h2-3,8-11,15,18H,1,4-7,12-14,16H2,(H2,26,30)/t18-/m0/s1
InChIKeyFHIOUSMUVGDHGW-SFHVURJKSA-N
MW448.59 g/mol
LogP4.23
Rot. Bonds5

About 3-[[(2S)-1-(2-piperidin-1-ylpyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide

3-[[(2S)-1-(2-piperidin-1-ylpyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide (PubChem CID 95830410) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is 3-[[(2S)-1-(2-piperidin-1-ylpyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-[[(2S)-1-(2-piperidin-1-ylpyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide
PubChem CID95830410
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC Name3-[[(2S)-1-(2-piperidin-1-ylpyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)c1ccnc(N2CCCCC2)c1
InChIInChI=1S/C25H28N4O2S/c26-24(30)23-20(19-8-2-3-9-21(19)32-23)16-18-7-6-14-29(18)25(31)17-10-11-27-22(15-17)28-12-4-1-5-13-28/h2-3,8-11,15,18H,1,4-7,12-14,16H2,(H2,26,30)/t18-/m0/s1
InChIKeyFHIOUSMUVGDHGW-SFHVURJKSA-N
XLogP4.23
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[(2S)-1-(2-piperidin-1-ylpyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

3-[[1-(2-piperidin-1-ylpyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 110259893
3-[[(2S)-1-(quinoline-5-carbonyl)piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 95830658
3-[[(2R)-1-[4-(ethoxymethyl)benzoyl]piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 95830568
3-[[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 95830703
3-[[(2S)-1-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 95830391
(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173607
N-methyl-3-[[(2S)-1-(2-methyl-1,3-benzothiazole-6-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 95830381
(2-methylpiperidin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574688
N,N-dimethyl-3-[[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)azepan-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 95830851
(2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109174674
1-[(2R)-2-[[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-benzothiophen-3-yl]methyl]azepan-1-yl]ethanone
CID 95830890
3-[[(2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)azepan-2-yl]methyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 95830797

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-(2-piperidin-1-ylpyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-[[(2S)-1-(2-piperidin-1-ylpyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide (CID 95830410) is 3-[[(2S)-1-(2-piperidin-1-ylpyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-[[(2S)-1-(2-piperidin-1-ylpyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-[[(2S)-1-(2-piperidin-1-ylpyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide is NC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)c1ccnc(N2CCCCC2)c1.
What is the InChIKey of 3-[[(2S)-1-(2-piperidin-1-ylpyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is FHIOUSMUVGDHGW-SFHVURJKSA-N. The full InChI is InChI=1S/C25H28N4O2S/c26-24(30)23-20(19-8-2-3-9-21(19)32-23)16-18-7-6-14-29(18)25(31)17-10-11-27-22(15-17)28-12-4-1-5-13-28/h2-3,8-11,15,18H,1,4-7,12-14,16H2,(H2,26,30)/t18-/m0/s1.
What are the key properties of 3-[[(2S)-1-(2-piperidin-1-ylpyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide?
3-[[(2S)-1-(2-piperidin-1-ylpyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-(2-piperidin-1-ylpyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 95830410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).