2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide

C13H22N4O — CID 55041620

IUPAC2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)c1ccnc(N)c1
InChIInChI=1S/C13H22N4O/c1-9(2)11(8-17(3)4)16-13(18)10-5-6-15-12(14)7-10/h5-7,9,11H,8H2,1-4H3,(H2,14,15)(H,16,18)
InChIKeyPEQGOBVMZACWFC-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.98
Rot. Bonds5

About 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide

2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide (PubChem CID 55041620) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide
PubChem CID55041620
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)c1ccnc(N)c1
InChIInChI=1S/C13H22N4O/c1-9(2)11(8-17(3)4)16-13(18)10-5-6-15-12(14)7-10/h5-7,9,11H,8H2,1-4H3,(H2,14,15)(H,16,18)
InChIKeyPEQGOBVMZACWFC-UHFFFAOYSA-N
XLogP0.98
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide
CID 61476191
2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 62160554
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide
CID 103957072
2-amino-N-[2-(dimethylamino)propyl]pyridine-4-carboxamide
CID 62161100
2-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 62201408
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide
CID 55163659
2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 62159754
3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide
CID 61476608
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide
CID 55082851
2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 61479880
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-4-carboxamide
CID 62151627
4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113263127

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide (CID 55041620) is 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide is CC(C)C(CN(C)C)NC(=O)c1ccnc(N)c1.
What is the InChIKey of 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide?
The InChIKey is PEQGOBVMZACWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)11(8-17(3)4)16-13(18)10-5-6-15-12(14)7-10/h5-7,9,11H,8H2,1-4H3,(H2,14,15)(H,16,18).
What are the key properties of 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide?
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 55041620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).