2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide

C14H22N4O — CID 55123139

IUPAC2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide
SMILESO=C(CN1CCCNCC1)NCCc1ccncc1
InChIInChI=1S/C14H22N4O/c19-14(12-18-10-1-5-15-9-11-18)17-8-4-13-2-6-16-7-3-13/h2-3,6-7,15H,1,4-5,8-12H2,(H,17,19)
InChIKeyFWGOWLRSOOZTSJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.04
Rot. Bonds5

About 2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide

2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 55123139) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID55123139
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide
SMILESO=C(CN1CCCNCC1)NCCc1ccncc1
InChIInChI=1S/C14H22N4O/c19-14(12-18-10-1-5-15-9-11-18)17-8-4-13-2-6-16-7-3-13/h2-3,6-7,15H,1,4-5,8-12H2,(H,17,19)
InChIKeyFWGOWLRSOOZTSJ-UHFFFAOYSA-N
XLogP0.04
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)acetamide
CID 54943649
2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62839241
2-(1,4-diazepan-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
CID 62832012
2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 80682467
N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 43348758
N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride
CID 17221281
2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105029
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
1-(5-pyridin-4-ylpentyl)-1,4-diazepane
CID 18958792
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250
2-(1,4-diazepan-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047483
2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332159

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide (CID 55123139) is 2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide is O=C(CN1CCCNCC1)NCCc1ccncc1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is FWGOWLRSOOZTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14(12-18-10-1-5-15-9-11-18)17-8-4-13-2-6-16-7-3-13/h2-3,6-7,15H,1,4-5,8-12H2,(H,17,19).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 262.36 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 55123139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).