5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide

C11H17N3O — CID 81317064

IUPAC5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide
SMILESCCC(C)N(C)C(=O)c1ccc(N)cn1
InChIInChI=1S/C11H17N3O/c1-4-8(2)14(3)11(15)10-6-5-9(12)7-13-10/h5-8H,4,12H2,1-3H3
InChIKeyHQGSXYGJEBTHNO-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.53
Rot. Bonds3

About 5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide

5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide (PubChem CID 81317064) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide
PubChem CID81317064
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide
SMILESCCC(C)N(C)C(=O)c1ccc(N)cn1
InChIInChI=1S/C11H17N3O/c1-4-8(2)14(3)11(15)10-6-5-9(12)7-13-10/h5-8H,4,12H2,1-3H3
InChIKeyHQGSXYGJEBTHNO-UHFFFAOYSA-N
XLogP1.53
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-butan-2-yl-N-methylbenzamide
CID 43272431
1-(5-amino-2-pyridinyl)-2-ethylbutan-1-one
CID 116605325
N-(1-aminopropan-2-yl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 104643248
5-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 81317233
5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81317186
5-amino-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 81317024
5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-2-carboxamide
CID 114132588
methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate
CID 81315778
5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide
CID 82965848
5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 81316878
5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316642
N-methyl-5-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 104640934

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide (CID 81317064) is 5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide is CCC(C)N(C)C(=O)c1ccc(N)cn1.
What is the InChIKey of 5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide?
The InChIKey is HQGSXYGJEBTHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-8(2)14(3)11(15)10-6-5-9(12)7-13-10/h5-8H,4,12H2,1-3H3.
What are the key properties of 5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide?
5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 81317064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).