2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide

C11H15FN4O2 — CID 106280114

IUPAC2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide
SMILESCC(C)(CNC(=O)c1cc(F)cnc1N)C(N)=O
InChIInChI=1S/C11H15FN4O2/c1-11(2,10(14)18)5-16-9(17)7-3-6(12)4-15-8(7)13/h3-4H,5H2,1-2H3,(H2,13,15)(H2,14,18)(H,16,17)
InChIKeyLSBJRQBEOBJTBN-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.04
Rot. Bonds4

About 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide

2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide (PubChem CID 106280114) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide
PubChem CID106280114
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Name2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide
SMILESCC(C)(CNC(=O)c1cc(F)cnc1N)C(N)=O
InChIInChI=1S/C11H15FN4O2/c1-11(2,10(14)18)5-16-9(17)7-3-6(12)4-15-8(7)13/h3-4H,5H2,1-2H3,(H2,13,15)(H2,14,18)(H,16,17)
InChIKeyLSBJRQBEOBJTBN-UHFFFAOYSA-N
XLogP0.04
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide
CID 114034926
2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide
CID 114035108
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide
CID 106276529
tert-butyl 2-amino-5-fluoropyridine-3-carboxylate
CID 133055354
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide
CID 106049941
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide
CID 106274538
5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromobenzamide
CID 114167042
2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide
CID 114035047
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 106280116
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide
CID 113226390
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide
CID 106280040
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide
CID 106276358

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide (CID 106280114) is 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide is CC(C)(CNC(=O)c1cc(F)cnc1N)C(N)=O.
What is the InChIKey of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide?
The InChIKey is LSBJRQBEOBJTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c1-11(2,10(14)18)5-16-9(17)7-3-6(12)4-15-8(7)13/h3-4H,5H2,1-2H3,(H2,13,15)(H2,14,18)(H,16,17).
What are the key properties of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide?
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide has a molecular weight of 254.26 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 106280114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).