2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide

C15H23N3O — CID 106753772

IUPAC2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
SMILESCCCN(CC1CCCN1)C(=O)c1ccnc(C)c1
InChIInChI=1S/C15H23N3O/c1-3-9-18(11-14-5-4-7-17-14)15(19)13-6-8-16-12(2)10-13/h6,8,10,14,17H,3-5,7,9,11H2,1-2H3
InChIKeyYYWLXCFZHCANIS-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.99
Rot. Bonds5

About 2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide

2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 106753772) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
PubChem CID106753772
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
SMILESCCCN(CC1CCCN1)C(=O)c1ccnc(C)c1
InChIInChI=1S/C15H23N3O/c1-3-9-18(11-14-5-4-7-17-14)15(19)13-6-8-16-12(2)10-13/h6,8,10,14,17H,3-5,7,9,11H2,1-2H3
InChIKeyYYWLXCFZHCANIS-UHFFFAOYSA-N
XLogP1.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610518
N-(piperidin-2-ylmethyl)-N-propylpyridine-4-carboxamide
CID 106625818
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106610741
4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625701
4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610449
5-methyl-N-(piperidin-2-ylmethyl)-N-propylfuran-3-carboxamide
CID 106625551
N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide
CID 106625552
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004
N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612283
4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612493

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide (CID 106753772) is 2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide is CCCN(CC1CCCN1)C(=O)c1ccnc(C)c1.
What is the InChIKey of 2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is YYWLXCFZHCANIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-9-18(11-14-5-4-7-17-14)15(19)13-6-8-16-12(2)10-13/h6,8,10,14,17H,3-5,7,9,11H2,1-2H3.
What are the key properties of 2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide?
2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 106753772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).