3-[(3-bromo-5-methyl-2-pyridinyl)carbamoylamino]-N,2,2-trimethylpropanamide

C13H19BrN4O2 — CID 86797331

IUPAC3-[(3-bromo-5-methyl-2-pyridinyl)carbamoylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)Nc1ncc(C)cc1Br
InChIInChI=1S/C13H19BrN4O2/c1-8-5-9(14)10(16-6-8)18-12(20)17-7-13(2,3)11(19)15-4/h5-6H,7H2,1-4H3,(H,15,19)(H2,16,17,18,20)
InChIKeyJHDZCXJYISUSTF-UHFFFAOYSA-N
MW343.23 g/mol
LogP2.05
Rot. Bonds4

About 3-[(3-bromo-5-methyl-2-pyridinyl)carbamoylamino]-N,2,2-trimethylpropanamide

3-[(3-bromo-5-methyl-2-pyridinyl)carbamoylamino]-N,2,2-trimethylpropanamide (PubChem CID 86797331) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is 3-[(3-bromo-5-methyl-2-pyridinyl)carbamoylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(3-bromo-5-methyl-2-pyridinyl)carbamoylamino]-N,2,2-trimethylpropanamide
PubChem CID86797331
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC Name3-[(3-bromo-5-methyl-2-pyridinyl)carbamoylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)Nc1ncc(C)cc1Br
InChIInChI=1S/C13H19BrN4O2/c1-8-5-9(14)10(16-6-8)18-12(20)17-7-13(2,3)11(19)15-4/h5-6H,7H2,1-4H3,(H,15,19)(H2,16,17,18,20)
InChIKeyJHDZCXJYISUSTF-UHFFFAOYSA-N
XLogP2.05
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-methyl-2-pyridinyl)carbamoylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(3-bromo-5-methyl-2-pyridinyl)carbamoylamino]-N,2,2-trimethylpropanamide (CID 86797331) is 3-[(3-bromo-5-methyl-2-pyridinyl)carbamoylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(3-bromo-5-methyl-2-pyridinyl)carbamoylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(3-bromo-5-methyl-2-pyridinyl)carbamoylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC(=O)Nc1ncc(C)cc1Br.
What is the InChIKey of 3-[(3-bromo-5-methyl-2-pyridinyl)carbamoylamino]-N,2,2-trimethylpropanamide?
The InChIKey is JHDZCXJYISUSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-8-5-9(14)10(16-6-8)18-12(20)17-7-13(2,3)11(19)15-4/h5-6H,7H2,1-4H3,(H,15,19)(H2,16,17,18,20).
What are the key properties of 3-[(3-bromo-5-methyl-2-pyridinyl)carbamoylamino]-N,2,2-trimethylpropanamide?
3-[(3-bromo-5-methyl-2-pyridinyl)carbamoylamino]-N,2,2-trimethylpropanamide has a molecular weight of 343.23 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-methyl-2-pyridinyl)carbamoylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 86797331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).