1-[(2-chlorophenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C18H18ClN3O2 — CID 4062435

IUPAC1-[(2-chlorophenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccnc1)C1CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C18H18ClN3O2/c19-15-6-2-1-5-14(15)12-22-16(7-8-17(22)23)18(24)21-11-13-4-3-9-20-10-13/h1-6,9-10,16H,7-8,11-12H2,(H,21,24)
InChIKeyMSPKFHLZPPRMOI-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.54
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

1-[(2-chlorophenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 4062435) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID4062435
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name1-[(2-chlorophenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccnc1)C1CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C18H18ClN3O2/c19-15-6-2-1-5-14(15)12-22-16(7-8-17(22)23)18(24)21-11-13-4-3-9-20-10-13/h1-6,9-10,16H,7-8,11-12H2,(H,21,24)
InChIKeyMSPKFHLZPPRMOI-UHFFFAOYSA-N
XLogP2.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 4062435) is 1-[(2-chlorophenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1cccnc1)C1CCC(=O)N1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is MSPKFHLZPPRMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-15-6-2-1-5-14(15)12-22-16(7-8-17(22)23)18(24)21-11-13-4-3-9-20-10-13/h1-6,9-10,16H,7-8,11-12H2,(H,21,24).
What are the key properties of 1-[(2-chlorophenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
1-[(2-chlorophenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4062435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).