(2S,4R)-N-ethyl-4-[(5-methylthiophene-2-carbonyl)amino]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

C19H24N4O2S — CID 72844152

IUPAC(2S,4R)-N-ethyl-4-[(5-methylthiophene-2-carbonyl)amino]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(C)s2)CN1Cc1ccccn1
InChIInChI=1S/C19H24N4O2S/c1-3-20-18(24)16-10-15(22-19(25)17-8-7-13(2)26-17)12-23(16)11-14-6-4-5-9-21-14/h4-9,15-16H,3,10-12H2,1-2H3,(H,20,24)(H,22,25)/t15-,16+/m1/s1
InChIKeyFGTSDBJGKAUOBD-CVEARBPZSA-N
MW372.49 g/mol
LogP1.96
Rot. Bonds6

About (2S,4R)-N-ethyl-4-[(5-methylthiophene-2-carbonyl)amino]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

(2S,4R)-N-ethyl-4-[(5-methylthiophene-2-carbonyl)amino]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 72844152) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is (2S,4R)-N-ethyl-4-[(5-methylthiophene-2-carbonyl)amino]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-ethyl-4-[(5-methylthiophene-2-carbonyl)amino]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID72844152
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name(2S,4R)-N-ethyl-4-[(5-methylthiophene-2-carbonyl)amino]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(C)s2)CN1Cc1ccccn1
InChIInChI=1S/C19H24N4O2S/c1-3-20-18(24)16-10-15(22-19(25)17-8-7-13(2)26-17)12-23(16)11-14-6-4-5-9-21-14/h4-9,15-16H,3,10-12H2,1-2H3,(H,20,24)(H,22,25)/t15-,16+/m1/s1
InChIKeyFGTSDBJGKAUOBD-CVEARBPZSA-N
XLogP1.96
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-ethyl-4-[(5-methylthiophene-2-carbonyl)amino]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-ethyl-4-[(5-methylthiophene-2-carbonyl)amino]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (CID 72844152) is (2S,4R)-N-ethyl-4-[(5-methylthiophene-2-carbonyl)amino]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-ethyl-4-[(5-methylthiophene-2-carbonyl)amino]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-ethyl-4-[(5-methylthiophene-2-carbonyl)amino]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(C)s2)CN1Cc1ccccn1.
What is the InChIKey of (2S,4R)-N-ethyl-4-[(5-methylthiophene-2-carbonyl)amino]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is FGTSDBJGKAUOBD-CVEARBPZSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-3-20-18(24)16-10-15(22-19(25)17-8-7-13(2)26-17)12-23(16)11-14-6-4-5-9-21-14/h4-9,15-16H,3,10-12H2,1-2H3,(H,20,24)(H,22,25)/t15-,16+/m1/s1.
What are the key properties of (2S,4R)-N-ethyl-4-[(5-methylthiophene-2-carbonyl)amino]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
(2S,4R)-N-ethyl-4-[(5-methylthiophene-2-carbonyl)amino]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-ethyl-4-[(5-methylthiophene-2-carbonyl)amino]-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 72844152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).