2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide

C12H17BrN4O2 — CID 115357192

IUPAC2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H17BrN4O2/c1-12(2,3)17-9(18)6-16-11(19)8-4-7(13)5-15-10(8)14/h4-5H,6H2,1-3H3,(H2,14,15)(H,16,19)(H,17,18)
InChIKeyOFGNQTLRASKFCT-UHFFFAOYSA-N
MW329.20 g/mol
LogP1.07
Rot. Bonds3

About 2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide

2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 115357192) has the molecular formula C12H17BrN4O2 and a molecular weight of 329.20 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide
PubChem CID115357192
Molecular FormulaC12H17BrN4O2
Molecular Weight329.20 g/mol
Exact Mass328.05
IUPAC Name2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H17BrN4O2/c1-12(2,3)17-9(18)6-16-11(19)8-4-7(13)5-15-10(8)14/h4-5H,6H2,1-3H3,(H2,14,15)(H,16,19)(H,17,18)
InChIKeyOFGNQTLRASKFCT-UHFFFAOYSA-N
XLogP1.07
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 155213563
2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 55041629
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide
CID 113293132
2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102907966
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide
CID 114924235
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
CID 113458035
2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 103907463
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide
CID 105387071
2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide
CID 118110256
2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 64694166

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide (CID 115357192) is 2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide is CC(C)(C)NC(=O)CNC(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is OFGNQTLRASKFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O2/c1-12(2,3)17-9(18)6-16-11(19)8-4-7(13)5-15-10(8)14/h4-5H,6H2,1-3H3,(H2,14,15)(H,16,19)(H,17,18).
What are the key properties of 2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide?
2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 329.20 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 115357192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).