N-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide

C13H21N3O — CID 64583359

IUPACN-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)NCC(C)C(C)C)cn1
InChIInChI=1S/C13H21N3O/c1-9(2)10(3)7-16-13(17)11-5-6-12(14-4)15-8-11/h5-6,8-10H,7H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyBNXYSXNFEUWKOQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.15
Rot. Bonds5

About N-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide

N-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide (PubChem CID 64583359) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
PubChem CID64583359
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)NCC(C)C(C)C)cn1
InChIInChI=1S/C13H21N3O/c1-9(2)10(3)7-16-13(17)11-5-6-12(14-4)15-8-11/h5-6,8-10H,7H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyBNXYSXNFEUWKOQ-UHFFFAOYSA-N
XLogP2.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide
CID 62175314
N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide
CID 126986999
N-butan-2-yl-6-(methylamino)pyridine-3-carboxamide
CID 62171833
6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 63227522
N-(2-methylbutyl)-6-(propylamino)pyridine-3-carboxamide
CID 62693585
N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(methylamino)pyridine-3-carboxamide
CID 62177053
N-methyl-6-(methylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62168719
6-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106342502
N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245145
N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109151937
6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115522150
6-(methylamino)-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 62523594

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide (CID 64583359) is N-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide is CNc1ccc(C(=O)NCC(C)C(C)C)cn1.
What is the InChIKey of N-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is BNXYSXNFEUWKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)10(3)7-16-13(17)11-5-6-12(14-4)15-8-11/h5-6,8-10H,7H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of N-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide?
N-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 64583359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).