N-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide

C21H21N3O3S — CID 29184528

IUPACN-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc([C@H]2CCCN2C(=O)Cc2ccccn2)s1
InChIInChI=1S/C21H21N3O3S/c25-20(13-15-5-1-2-10-22-15)24-11-3-7-17(24)18-8-9-19(28-18)21(26)23-14-16-6-4-12-27-16/h1-2,4-6,8-10,12,17H,3,7,11,13-14H2,(H,23,26)/t17-/m1/s1
InChIKeyPZLZMJGZPJQFRN-QGZVFWFLSA-N
MW395.48 g/mol
LogP3.57
Rot. Bonds6

About N-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide

N-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 29184528) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID29184528
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc([C@H]2CCCN2C(=O)Cc2ccccn2)s1
InChIInChI=1S/C21H21N3O3S/c25-20(13-15-5-1-2-10-22-15)24-11-3-7-17(24)18-8-9-19(28-18)21(26)23-14-16-6-4-12-27-16/h1-2,4-6,8-10,12,17H,3,7,11,13-14H2,(H,23,26)/t17-/m1/s1
InChIKeyPZLZMJGZPJQFRN-QGZVFWFLSA-N
XLogP3.57
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45191304
5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide
CID 29023222
N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45197404
5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 30921699
5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 31105543
1-(2-ethyl-1,3-thiazole-5-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 86847544
4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42197892
5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide
CID 45202930
4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136816533
5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide
CID 45183238
1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 141043533
(2R)-N-(furan-2-ylmethyl)-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 95148543

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide (CID 29184528) is N-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide is O=C(NCc1ccco1)c1ccc([C@H]2CCCN2C(=O)Cc2ccccn2)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is PZLZMJGZPJQFRN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21N3O3S/c25-20(13-15-5-1-2-10-22-15)24-11-3-7-17(24)18-8-9-19(28-18)21(26)23-14-16-6-4-12-27-16/h1-2,4-6,8-10,12,17H,3,7,11,13-14H2,(H,23,26)/t17-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
N-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 29184528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).