4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide

C13H21N3O2 — CID 55041484

IUPAC4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide
SMILESCC(C)CCOCCNC(=O)c1cc(N)ccn1
InChIInChI=1S/C13H21N3O2/c1-10(2)4-7-18-8-6-16-13(17)12-9-11(14)3-5-15-12/h3,5,9-10H,4,6-8H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyLKYZVHGLKBZHOY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.46
Rot. Bonds7

About 4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide

4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide (PubChem CID 55041484) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide
PubChem CID55041484
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide
SMILESCC(C)CCOCCNC(=O)c1cc(N)ccn1
InChIInChI=1S/C13H21N3O2/c1-10(2)4-7-18-8-6-16-13(17)12-9-11(14)3-5-15-12/h3,5,9-10H,4,6-8H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyLKYZVHGLKBZHOY-UHFFFAOYSA-N
XLogP1.46
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 62987007
4-amino-N-(6-methylheptan-2-yl)pyridine-2-carboxamide
CID 55041915
4-amino-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 63962299
4-amino-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 62154340
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide
CID 63117353
2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide
CID 107338579
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide
CID 63118430
2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 62508898
5-(N'-hydroxycarbamimidoyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide
CID 77005365
4-amino-N-(2-amino-2-oxoethyl)pyridine-2-carboxamide
CID 62156231
N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203048
4-amino-N-methoxypyridine-2-carboxamide
CID 170972703

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide (CID 55041484) is 4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide is CC(C)CCOCCNC(=O)c1cc(N)ccn1.
What is the InChIKey of 4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide?
The InChIKey is LKYZVHGLKBZHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)4-7-18-8-6-16-13(17)12-9-11(14)3-5-15-12/h3,5,9-10H,4,6-8H2,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of 4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide?
4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 55041484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).