1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one

C16H28N4O — CID 82898587

IUPAC1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one
SMILESCC(CN)CN1CCCN(CCn2ccccc2=O)CC1
InChIInChI=1S/C16H28N4O/c1-15(13-17)14-19-7-4-6-18(9-10-19)11-12-20-8-3-2-5-16(20)21/h2-3,5,8,15H,4,6-7,9-14,17H2,1H3
InChIKeyZESWOWWWIUNKIB-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.45
Rot. Bonds6

About 1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one

1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one (PubChem CID 82898587) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one
PubChem CID82898587
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one
SMILESCC(CN)CN1CCCN(CCn2ccccc2=O)CC1
InChIInChI=1S/C16H28N4O/c1-15(13-17)14-19-7-4-6-18(9-10-19)11-12-20-8-3-2-5-16(20)21/h2-3,5,8,15H,4,6-7,9-14,17H2,1H3
InChIKeyZESWOWWWIUNKIB-UHFFFAOYSA-N
XLogP0.45
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(2-bromoethyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 82907733
1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 82897279
1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82898009
1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one
CID 131902087
1-[2-(3-amino-2-methylpropyl)sulfanylethyl]pyridin-2-one
CID 82896561
2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile
CID 82897600
1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82897538
1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one
CID 82907517
2-methyl-2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]propanethioamide
CID 82898824
1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82897001
1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82896584
2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanethioamide
CID 82898823

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one (CID 82898587) is 1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one is CC(CN)CN1CCCN(CCn2ccccc2=O)CC1.
What is the InChIKey of 1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one?
The InChIKey is ZESWOWWWIUNKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-15(13-17)14-19-7-4-6-18(9-10-19)11-12-20-8-3-2-5-16(20)21/h2-3,5,8,15H,4,6-7,9-14,17H2,1H3.
What are the key properties of 1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one?
1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one has a molecular weight of 292.43 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82898587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).