4-(3-methoxyphenyl)-1-propanoyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C21H25N3O3 — CID 83281374

IUPAC4-(3-methoxyphenyl)-1-propanoyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCC(=O)N1CC(C(=O)NCc2ccccn2)C(c2cccc(OC)c2)C1
InChIInChI=1S/C21H25N3O3/c1-3-20(25)24-13-18(15-7-6-9-17(11-15)27-2)19(14-24)21(26)23-12-16-8-4-5-10-22-16/h4-11,18-19H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyZCPAURJJTQDJCN-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.36
Rot. Bonds6

About 4-(3-methoxyphenyl)-1-propanoyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

4-(3-methoxyphenyl)-1-propanoyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 83281374) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1-propanoyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1-propanoyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID83281374
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-(3-methoxyphenyl)-1-propanoyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCC(=O)N1CC(C(=O)NCc2ccccn2)C(c2cccc(OC)c2)C1
InChIInChI=1S/C21H25N3O3/c1-3-20(25)24-13-18(15-7-6-9-17(11-15)27-2)19(14-24)21(26)23-12-16-8-4-5-10-22-16/h4-11,18-19H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyZCPAURJJTQDJCN-UHFFFAOYSA-N
XLogP2.36
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1-propanoyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-(3-methoxyphenyl)-1-propanoyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 83281374) is 4-(3-methoxyphenyl)-1-propanoyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-1-propanoyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-(3-methoxyphenyl)-1-propanoyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is CCC(=O)N1CC(C(=O)NCc2ccccn2)C(c2cccc(OC)c2)C1.
What is the InChIKey of 4-(3-methoxyphenyl)-1-propanoyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is ZCPAURJJTQDJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-20(25)24-13-18(15-7-6-9-17(11-15)27-2)19(14-24)21(26)23-12-16-8-4-5-10-22-16/h4-11,18-19H,3,12-14H2,1-2H3,(H,23,26).
What are the key properties of 4-(3-methoxyphenyl)-1-propanoyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
4-(3-methoxyphenyl)-1-propanoyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1-propanoyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 83281374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).