N-propyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C14H21N3O — CID 50950835

IUPACN-propyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCCN(Cc1cccnc1)C(=O)C1CCNC1
InChIInChI=1S/C14H21N3O/c1-2-8-17(11-12-4-3-6-15-9-12)14(18)13-5-7-16-10-13/h3-4,6,9,13,16H,2,5,7-8,10-11H2,1H3
InChIKeyVUUTWURZQBBSDX-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.43
Rot. Bonds5

About N-propyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

N-propyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 50950835) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-propyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-propyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID50950835
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-propyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCCN(Cc1cccnc1)C(=O)C1CCNC1
InChIInChI=1S/C14H21N3O/c1-2-8-17(11-12-4-3-6-15-9-12)14(18)13-5-7-16-10-13/h3-4,6,9,13,16H,2,5,7-8,10-11H2,1H3
InChIKeyVUUTWURZQBBSDX-UHFFFAOYSA-N
XLogP1.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-propyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 50950835) is N-propyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-propyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-propyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is CCCN(Cc1cccnc1)C(=O)C1CCNC1.
What is the InChIKey of N-propyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is VUUTWURZQBBSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-8-17(11-12-4-3-6-15-9-12)14(18)13-5-7-16-10-13/h3-4,6,9,13,16H,2,5,7-8,10-11H2,1H3.
What are the key properties of N-propyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
N-propyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 50950835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).