5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide

C12H20N4O2 — CID 65049915

IUPAC5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
SMILESCOCC(Nc1ncc(N)cc1C(N)=O)C(C)C
InChIInChI=1S/C12H20N4O2/c1-7(2)10(6-18-3)16-12-9(11(14)17)4-8(13)5-15-12/h4-5,7,10H,6,13H2,1-3H3,(H2,14,17)(H,15,16)
InChIKeyVVVIXTAFPFWEPQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.85
Rot. Bonds6

About 5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide

5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide (PubChem CID 65049915) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
PubChem CID65049915
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
SMILESCOCC(Nc1ncc(N)cc1C(N)=O)C(C)C
InChIInChI=1S/C12H20N4O2/c1-7(2)10(6-18-3)16-12-9(11(14)17)4-8(13)5-15-12/h4-5,7,10H,6,13H2,1-3H3,(H2,14,17)(H,15,16)
InChIKeyVVVIXTAFPFWEPQ-UHFFFAOYSA-N
XLogP0.85
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(4-methoxybutan-2-ylamino)pyridine-3-carboxamide
CID 64600483
5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carboxamide
CID 83177593
5-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxamide
CID 54950472
methyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
CID 114047408
5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine
CID 65047155
5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine
CID 104506932
5-amino-2-(1-pyridin-2-ylethylamino)pyridine-3-carboxamide
CID 61360352
5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide
CID 61479644
4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine
CID 79918826
4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide
CID 65048588
5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide
CID 61359178

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide (CID 65049915) is 5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide is COCC(Nc1ncc(N)cc1C(N)=O)C(C)C.
What is the InChIKey of 5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide?
The InChIKey is VVVIXTAFPFWEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-7(2)10(6-18-3)16-12-9(11(14)17)4-8(13)5-15-12/h4-5,7,10H,6,13H2,1-3H3,(H2,14,17)(H,15,16).
What are the key properties of 5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide?
5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 65049915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).