5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide

C11H17N5O2 — CID 114167701

IUPAC5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide
SMILESCC(C)(CNc1cc(C(N)=O)c(N)cn1)C(N)=O
InChIInChI=1S/C11H17N5O2/c1-11(2,10(14)18)5-16-8-3-6(9(13)17)7(12)4-15-8/h3-4H,5,12H2,1-2H3,(H2,13,17)(H2,14,18)(H,15,16)
InChIKeyAXULLHDBEKGLOO-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.31
Rot. Bonds5

About 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide

5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide (PubChem CID 114167701) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide
PubChem CID114167701
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide
SMILESCC(C)(CNc1cc(C(N)=O)c(N)cn1)C(N)=O
InChIInChI=1S/C11H17N5O2/c1-11(2,10(14)18)5-16-8-3-6(9(13)17)7(12)4-15-8/h3-4H,5,12H2,1-2H3,(H2,13,17)(H2,14,18)(H,15,16)
InChIKeyAXULLHDBEKGLOO-UHFFFAOYSA-N
XLogP-0.31
TPSA137.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-amino-5-methyl-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 106275165
5-amino-2-[(4-methylcyclohexyl)methylamino]pyridine-4-carboxamide
CID 114090347
5-amino-2-[3-(methanesulfonamido)propylamino]pyridine-4-carboxamide
CID 106341882
5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide
CID 114090671
5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxamide
CID 106376450
3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 106275327
5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide
CID 106039561
2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 106277817
methyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate
CID 103772184
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 106280116
5-amino-2-[(2,4-dimethyl-3-pyridinyl)amino]pyridine-4-carboxamide
CID 112741975
5-amino-2-[3-(triazol-1-yl)propylamino]pyridine-4-carboxamide
CID 114090567

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide (CID 114167701) is 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide is CC(C)(CNc1cc(C(N)=O)c(N)cn1)C(N)=O.
What is the InChIKey of 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide?
The InChIKey is AXULLHDBEKGLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-11(2,10(14)18)5-16-8-3-6(9(13)17)7(12)4-15-8/h3-4H,5,12H2,1-2H3,(H2,13,17)(H2,14,18)(H,15,16).
What are the key properties of 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide?
5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 114167701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).