N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide

C15H23N3O — CID 109182041

IUPACN-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(N2CCCC2)cn1
InChIInChI=1S/C15H23N3O/c1-3-4-9-17(2)15(19)14-8-7-13(12-16-14)18-10-5-6-11-18/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyBHWBYKAZBIVBNM-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.55
Rot. Bonds5

About N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide

N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 109182041) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID109182041
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(N2CCCC2)cn1
InChIInChI=1S/C15H23N3O/c1-3-4-9-17(2)15(19)14-8-7-13(12-16-14)18-10-5-6-11-18/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyBHWBYKAZBIVBNM-UHFFFAOYSA-N
XLogP2.55
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109194360
N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288302
N-butyl-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-2-carboxamide
CID 109195041
N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109217771
N-[3-(dimethylamino)propyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182724
6-[methyl(pentyl)carbamoyl]pyridine-3-carboxylic acid
CID 43452990
N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 55152298
5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyridine-2-carboxamide
CID 109187393
N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide
CID 109195352
5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414824
N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide
CID 109186763
N-butyl-N-methyl-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276632

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide (CID 109182041) is N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide is CCCCN(C)C(=O)c1ccc(N2CCCC2)cn1.
What is the InChIKey of N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is BHWBYKAZBIVBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-4-9-17(2)15(19)14-8-7-13(12-16-14)18-10-5-6-11-18/h7-8,12H,3-6,9-11H2,1-2H3.
What are the key properties of N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide?
N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 109182041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).