N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide

C13H19BrN4O2 — CID 119875001

IUPACN-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H19BrN4O2/c1-9(6-15-2)13(20)18(3)8-12(19)17-11-5-4-10(14)7-16-11/h4-5,7,9,15H,6,8H2,1-3H3,(H,16,17,19)
InChIKeyIDKVQKAGHFXKFM-UHFFFAOYSA-N
MW343.23 g/mol
LogP1.10
Rot. Bonds6

About N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide

N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide (PubChem CID 119875001) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide
PubChem CID119875001
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC NameN-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H19BrN4O2/c1-9(6-15-2)13(20)18(3)8-12(19)17-11-5-4-10(14)7-16-11/h4-5,7,9,15H,6,8H2,1-3H3,(H,16,17,19)
InChIKeyIDKVQKAGHFXKFM-UHFFFAOYSA-N
XLogP1.10
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287887
N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79203045
2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide
CID 119874977
methyl 3-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62011505
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088
N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 62021912
1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide
CID 119875009
N-(5-bromo-2-pyridinyl)-2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetamide
CID 95166488
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119772010
N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 95284652
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 51285623

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide?
The IUPAC name of N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide (CID 119875001) is N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide?
The canonical SMILES for N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide is CNCC(C)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide?
The InChIKey is IDKVQKAGHFXKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-9(6-15-2)13(20)18(3)8-12(19)17-11-5-4-10(14)7-16-11/h4-5,7,9,15H,6,8H2,1-3H3,(H,16,17,19).
What are the key properties of N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide?
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide has a molecular weight of 343.23 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide is sourced from PubChem (CID 119875001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).