N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide

C12H19N3O — CID 81482515

IUPACN-(2-amino-2-ethylbutyl)pyridine-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1ccncc1
InChIInChI=1S/C12H19N3O/c1-3-12(13,4-2)9-15-11(16)10-5-7-14-8-6-10/h5-8H,3-4,9,13H2,1-2H3,(H,15,16)
InChIKeyMXZVHDITNAZMLC-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.33
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide

N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide (PubChem CID 81482515) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)pyridine-4-carboxamide
PubChem CID81482515
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(2-amino-2-ethylbutyl)pyridine-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1ccncc1
InChIInChI=1S/C12H19N3O/c1-3-12(13,4-2)9-15-11(16)10-5-7-14-8-6-10/h5-8H,3-4,9,13H2,1-2H3,(H,15,16)
InChIKeyMXZVHDITNAZMLC-UHFFFAOYSA-N
XLogP1.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide
CID 119640034
N-(2-amino-2-ethylbutyl)-4-(dimethylamino)benzamide
CID 115305742
N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65109884
N-(2-amino-2-ethylbutyl)-3,4-dimethylbenzamide
CID 81484563
N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride
CID 119641996
N-(2-amino-2-ethylbutyl)-4-propan-2-ylsulfanylbenzamide
CID 119643680
N-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide
CID 119644057
N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride
CID 119640769
N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride
CID 119641823
N-(2-amino-2-ethylbutyl)naphthalene-2-carboxamide
CID 81485257
N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide
CID 81483749
N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide;hydrochloride
CID 119640167

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide (CID 81482515) is N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide is CCC(N)(CC)CNC(=O)c1ccncc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide?
The InChIKey is MXZVHDITNAZMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-12(13,4-2)9-15-11(16)10-5-7-14-8-6-10/h5-8H,3-4,9,13H2,1-2H3,(H,15,16).
What are the key properties of N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide?
N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 81482515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).