N-(5-bromo-3-methyl-2-pyridinyl)-2-(1,4-diazepan-1-yl)acetamide

C13H19BrN4O — CID 83167352

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-2-(1,4-diazepan-1-yl)acetamide
SMILESCc1cc(Br)cnc1NC(=O)CN1CCCNCC1
InChIInChI=1S/C13H19BrN4O/c1-10-7-11(14)8-16-13(10)17-12(19)9-18-5-2-3-15-4-6-18/h7-8,15H,2-6,9H2,1H3,(H,16,17,19)
InChIKeyCDBYKZHVUGVSBN-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.39
Rot. Bonds3

About N-(5-bromo-3-methyl-2-pyridinyl)-2-(1,4-diazepan-1-yl)acetamide

N-(5-bromo-3-methyl-2-pyridinyl)-2-(1,4-diazepan-1-yl)acetamide (PubChem CID 83167352) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-2-(1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-2-(1,4-diazepan-1-yl)acetamide
PubChem CID83167352
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-2-(1,4-diazepan-1-yl)acetamide
SMILESCc1cc(Br)cnc1NC(=O)CN1CCCNCC1
InChIInChI=1S/C13H19BrN4O/c1-10-7-11(14)8-16-13(10)17-12(19)9-18-5-2-3-15-4-6-18/h7-8,15H,2-6,9H2,1H3,(H,16,17,19)
InChIKeyCDBYKZHVUGVSBN-UHFFFAOYSA-N
XLogP1.39
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide
CID 67362705
N-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 18070461
N-(2-bromo-5-methylphenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 82756955
1-[2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 83170239
2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
N-(2-chloro-4,6-dimethylphenyl)-2-(1,4-diazepan-1-yl)acetamide;hydrochloride
CID 119906736
2-(azetidin-3-yl)-N-(5-bromo-3-methyl-2-pyridinyl)acetamide
CID 83170220
2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide
CID 103585983
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 62833287
N-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide
CID 661163
2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 62837342
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 115377407

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-(1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-(1,4-diazepan-1-yl)acetamide (CID 83167352) is N-(5-bromo-3-methyl-2-pyridinyl)-2-(1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-2-(1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-2-(1,4-diazepan-1-yl)acetamide is Cc1cc(Br)cnc1NC(=O)CN1CCCNCC1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-2-(1,4-diazepan-1-yl)acetamide?
The InChIKey is CDBYKZHVUGVSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-10-7-11(14)8-16-13(10)17-12(19)9-18-5-2-3-15-4-6-18/h7-8,15H,2-6,9H2,1H3,(H,16,17,19).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-2-(1,4-diazepan-1-yl)acetamide?
N-(5-bromo-3-methyl-2-pyridinyl)-2-(1,4-diazepan-1-yl)acetamide has a molecular weight of 327.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-2-(1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 83167352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).