N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide

C11H17N3O — CID 106752319

IUPACN-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)CCN)ccn1
InChIInChI=1S/C11H17N3O/c1-8(3-5-12)14-11(15)10-4-6-13-9(2)7-10/h4,6-8H,3,5,12H2,1-2H3,(H,14,15)
InChIKeyQVGUWGMMUJLWNU-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.86
Rot. Bonds4

About N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide

N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide (PubChem CID 106752319) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide
PubChem CID106752319
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)CCN)ccn1
InChIInChI=1S/C11H17N3O/c1-8(3-5-12)14-11(15)10-4-6-13-9(2)7-10/h4,6-8H,3,5,12H2,1-2H3,(H,14,15)
InChIKeyQVGUWGMMUJLWNU-UHFFFAOYSA-N
XLogP0.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753746
N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide
CID 106753439
3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752504
5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752753
N-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide
CID 106753662
methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate
CID 106753807
N-(4-aminobutan-2-yl)pyridazine-4-carboxamide
CID 104668958
(2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752669
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753467
2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 106752586
dichloromethane;2-methylpyridine-4-carbohydrazide
CID 157362616
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide
CID 106752988

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide (CID 106752319) is N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)NC(C)CCN)ccn1.
What is the InChIKey of N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide?
The InChIKey is QVGUWGMMUJLWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(3-5-12)14-11(15)10-4-6-13-9(2)7-10/h4,6-8H,3,5,12H2,1-2H3,(H,14,15).
What are the key properties of N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide?
N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106752319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).