1-benzyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide

C18H21N3O — CID 75463230

IUPAC1-benzyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN1Cc1ccccc1
InChIInChI=1S/C18H21N3O/c1-14-7-5-11-19-17(14)20-18(22)16-10-6-12-21(16)13-15-8-3-2-4-9-15/h2-5,7-9,11,16H,6,10,12-13H2,1H3,(H,19,20,22)
InChIKeyIGHAYYPTHATVDY-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.99
Rot. Bonds4

About 1-benzyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide

1-benzyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 75463230) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-benzyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID75463230
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-benzyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN1Cc1ccccc1
InChIInChI=1S/C18H21N3O/c1-14-7-5-11-19-17(14)20-18(22)16-10-6-12-21(16)13-15-8-3-2-4-9-15/h2-5,7-9,11,16H,6,10,12-13H2,1H3,(H,19,20,22)
InChIKeyIGHAYYPTHATVDY-UHFFFAOYSA-N
XLogP2.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide (CID 75463230) is 1-benzyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide is Cc1cccnc1NC(=O)C1CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is IGHAYYPTHATVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14-7-5-11-19-17(14)20-18(22)16-10-6-12-21(16)13-15-8-3-2-4-9-15/h2-5,7-9,11,16H,6,10,12-13H2,1H3,(H,19,20,22).
What are the key properties of 1-benzyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
1-benzyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 75463230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).