N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide

C14H23N3O — CID 62186071

IUPACN-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cccnc1NCCC
InChIInChI=1S/C14H23N3O/c1-4-6-11-17(3)14(18)12-8-7-10-16-13(12)15-9-5-2/h7-8,10H,4-6,9,11H2,1-3H3,(H,15,16)
InChIKeyVUESOICNMRVPGF-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.78
Rot. Bonds7

About N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide

N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62186071) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide
PubChem CID62186071
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cccnc1NCCC
InChIInChI=1S/C14H23N3O/c1-4-6-11-17(3)14(18)12-8-7-10-16-13(12)15-9-5-2/h7-8,10H,4-6,9,11H2,1-3H3,(H,15,16)
InChIKeyVUESOICNMRVPGF-UHFFFAOYSA-N
XLogP2.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-methylbutan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 63961871
N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 62179926
N-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62168156
N-methyl-N-(3-methylbutan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62168547
N-methyl-2-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 62169198
2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62178139
2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 112664065
N-(2-chloro-3-pyridinyl)-N-methyl-2-(propylamino)pyridine-3-carboxamide
CID 19960025
2-(propylamino)pyridine-3-carboxylate
CID 22068597
2-(butylamino)pyridine-3-carboxamide
CID 29031037
N-(cyclopropylmethyl)-N-ethyl-2-(propylamino)pyridine-3-carboxamide
CID 63940110
N-methyl-N-(1-methylpiperidin-4-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62165835

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide (CID 62186071) is N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide is CCCCN(C)C(=O)c1cccnc1NCCC.
What is the InChIKey of N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is VUESOICNMRVPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-6-11-17(3)14(18)12-8-7-10-16-13(12)15-9-5-2/h7-8,10H,4-6,9,11H2,1-3H3,(H,15,16).
What are the key properties of N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide?
N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62186071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).