5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide

C12H20N4O2 — CID 81058266

IUPAC5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide
SMILESCC(C)OCCN(C)c1ncc(N)cc1C(N)=O
InChIInChI=1S/C12H20N4O2/c1-8(2)18-5-4-16(3)12-10(11(14)17)6-9(13)7-15-12/h6-8H,4-5,13H2,1-3H3,(H2,14,17)
InChIKeyYKAKIHRDDVCTGA-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.62
Rot. Bonds6

About 5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide

5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide (PubChem CID 81058266) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide
PubChem CID81058266
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide
SMILESCC(C)OCCN(C)c1ncc(N)cc1C(N)=O
InChIInChI=1S/C12H20N4O2/c1-8(2)18-5-4-16(3)12-10(11(14)17)6-9(13)7-15-12/h6-8H,4-5,13H2,1-3H3,(H2,14,17)
InChIKeyYKAKIHRDDVCTGA-UHFFFAOYSA-N
XLogP0.62
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[methyl(propyl)amino]pyridine-3-carboxamide
CID 61358399
5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide
CID 61358598
5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide
CID 107197717
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide
CID 82948360
5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide
CID 55005406
5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid
CID 114034507
methyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate
CID 114047407
5-amino-2-(diethylamino)pyridine-3-carboxamide
CID 61359746
5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid
CID 81057588
3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid
CID 81061551
5-amino-2-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 61358208
5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxamide
CID 115505405

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide (CID 81058266) is 5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide is CC(C)OCCN(C)c1ncc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide?
The InChIKey is YKAKIHRDDVCTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)18-5-4-16(3)12-10(11(14)17)6-9(13)7-15-12/h6-8H,4-5,13H2,1-3H3,(H2,14,17).
What are the key properties of 5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide?
5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 81058266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).