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

C14H21N3O — CID 106610741

IUPACN-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
SMILESCCCN(CC1CCCN1)C(=O)c1ccccn1
InChIInChI=1S/C14H21N3O/c1-2-10-17(11-12-6-5-9-15-12)14(18)13-7-3-4-8-16-13/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3
InChIKeyYXFSUSONOSNDRR-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.69
Rot. Bonds5

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

N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 106610741) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID106610741
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
SMILESCCCN(CC1CCCN1)C(=O)c1ccccn1
InChIInChI=1S/C14H21N3O/c1-2-10-17(11-12-6-5-9-15-12)14(18)13-7-3-4-8-16-13/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3
InChIKeyYXFSUSONOSNDRR-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
CID 106627024
2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106753772
N-(piperidin-2-ylmethyl)-N-propylpyridine-4-carboxamide
CID 106625818
5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106612024
3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 107520350
2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone
CID 97164226
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610518
5-(methoxymethyl)-N-propyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106610655
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
N-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide
CID 107356560
2-methyl-N-(piperidin-2-ylmethyl)-N-propylpyrazole-3-carboxamide
CID 106625760

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide (CID 106610741) is N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide is CCCN(CC1CCCN1)C(=O)c1ccccn1.
What is the InChIKey of N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is YXFSUSONOSNDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-10-17(11-12-6-5-9-15-12)14(18)13-7-3-4-8-16-13/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3.
What are the key properties of N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 106610741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).