2-[(5-bromo-2-pyridinyl)-methylamino]-N-(4-methyl-2-pyridinyl)acetamide

C14H15BrN4O — CID 71975683

IUPAC2-[(5-bromo-2-pyridinyl)-methylamino]-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CN(C)c2ccc(Br)cn2)c1
InChIInChI=1S/C14H15BrN4O/c1-10-5-6-16-12(7-10)18-14(20)9-19(2)13-4-3-11(15)8-17-13/h3-8H,9H2,1-2H3,(H,16,18,20)
InChIKeyZJXXUHNMQYIILM-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.62
Rot. Bonds4

About 2-[(5-bromo-2-pyridinyl)-methylamino]-N-(4-methyl-2-pyridinyl)acetamide

2-[(5-bromo-2-pyridinyl)-methylamino]-N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 71975683) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)-methylamino]-N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)-methylamino]-N-(4-methyl-2-pyridinyl)acetamide
PubChem CID71975683
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name2-[(5-bromo-2-pyridinyl)-methylamino]-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CN(C)c2ccc(Br)cn2)c1
InChIInChI=1S/C14H15BrN4O/c1-10-5-6-16-12(7-10)18-14(20)9-19(2)13-4-3-11(15)8-17-13/h3-8H,9H2,1-2H3,(H,16,18,20)
InChIKeyZJXXUHNMQYIILM-UHFFFAOYSA-N
XLogP2.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 55206707
2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 47351627
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088
N,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 155944690
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 51075766
methyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate
CID 95294721
2-ethyl-N-(4-methyl-2-pyridinyl)butanamide
CID 849589
N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 166182865
3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 113349571
2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide
CID 71847661
2,4-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 1234856
3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide
CID 1231856

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)-methylamino]-N-(4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)-methylamino]-N-(4-methyl-2-pyridinyl)acetamide (CID 71975683) is 2-[(5-bromo-2-pyridinyl)-methylamino]-N-(4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)-methylamino]-N-(4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)-methylamino]-N-(4-methyl-2-pyridinyl)acetamide is Cc1ccnc(NC(=O)CN(C)c2ccc(Br)cn2)c1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)-methylamino]-N-(4-methyl-2-pyridinyl)acetamide?
The InChIKey is ZJXXUHNMQYIILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-10-5-6-16-12(7-10)18-14(20)9-19(2)13-4-3-11(15)8-17-13/h3-8H,9H2,1-2H3,(H,16,18,20).
What are the key properties of 2-[(5-bromo-2-pyridinyl)-methylamino]-N-(4-methyl-2-pyridinyl)acetamide?
2-[(5-bromo-2-pyridinyl)-methylamino]-N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 335.21 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)-methylamino]-N-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 71975683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).