2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide

C13H20N4O2 — CID 62837342

IUPAC2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCCNCC2)cn1
InChIInChI=1S/C13H20N4O2/c1-19-13-4-3-11(9-15-13)16-12(18)10-17-7-2-5-14-6-8-17/h3-4,9,14H,2,5-8,10H2,1H3,(H,16,18)
InChIKeyDBULJXZJPZQBDL-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.32
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide

2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide (PubChem CID 62837342) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide
PubChem CID62837342
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCCNCC2)cn1
InChIInChI=1S/C13H20N4O2/c1-19-13-4-3-11(9-15-13)16-12(18)10-17-7-2-5-14-6-8-17/h3-4,9,14H,2,5-8,10H2,1H3,(H,16,18)
InChIKeyDBULJXZJPZQBDL-UHFFFAOYSA-N
XLogP0.32
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 82868382
2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide
CID 54773502
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838877
N-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 18070461
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide
CID 119906440
2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide;hydrochloride
CID 119906632
2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide
CID 62838844
2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide
CID 62838988
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride
CID 119906439
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 62833287
N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride
CID 17221317
2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119905944

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide (CID 62837342) is 2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide is COc1ccc(NC(=O)CN2CCCNCC2)cn1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
The InChIKey is DBULJXZJPZQBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-19-13-4-3-11(9-15-13)16-12(18)10-17-7-2-5-14-6-8-17/h3-4,9,14H,2,5-8,10H2,1H3,(H,16,18).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide has a molecular weight of 264.33 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 62837342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).