N-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide

C19H25N3OS — CID 72837629

IUPACN-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide
SMILESCCCN(Cc1ccsc1)C(=O)C(c1cccnc1)N1CCCC1
InChIInChI=1S/C19H25N3OS/c1-2-9-22(14-16-7-12-24-15-16)19(23)18(21-10-3-4-11-21)17-6-5-8-20-13-17/h5-8,12-13,15,18H,2-4,9-11,14H2,1H3
InChIKeyIBYSUNVWNVLZLK-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.72
Rot. Bonds7

About N-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide

N-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 72837629) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID72837629
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide
SMILESCCCN(Cc1ccsc1)C(=O)C(c1cccnc1)N1CCCC1
InChIInChI=1S/C19H25N3OS/c1-2-9-22(14-16-7-12-24-15-16)19(23)18(21-10-3-4-11-21)17-6-5-8-20-13-17/h5-8,12-13,15,18H,2-4,9-11,14H2,1H3
InChIKeyIBYSUNVWNVLZLK-UHFFFAOYSA-N
XLogP3.72
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 72939657
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
(2S)-N-ethyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(pyridin-4-ylmethyl)acetamide
CID 97154728
(2R)-N-ethyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(pyridin-4-ylmethyl)acetamide
CID 97154727
(2S)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 97187222
(2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide
CID 129402819
3-(piperidine-1-carbonyl)-N-propyl-N-(thiophen-3-ylmethyl)pyrazine-2-carboxamide
CID 74245601
2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid
CID 136550647
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-N-propyl-N-(thiophen-3-ylmethyl)acetamide
CID 97285779
N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide
CID 45182987
1-(4-methylpiperazin-1-yl)-4-phenyl-1-pyridin-3-ylbutan-2-one
CID 167684149
(2S)-2-[cyanomethyl-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]-3-(3,5-dimethylphenyl)propanamide
CID 91157303

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide (CID 72837629) is N-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide is CCCN(Cc1ccsc1)C(=O)C(c1cccnc1)N1CCCC1.
What is the InChIKey of N-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is IBYSUNVWNVLZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-2-9-22(14-16-7-12-24-15-16)19(23)18(21-10-3-4-11-21)17-6-5-8-20-13-17/h5-8,12-13,15,18H,2-4,9-11,14H2,1H3.
What are the key properties of N-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide?
N-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 343.50 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 72837629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).