1-[4-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone

C16H26N4O — CID 79234151

IUPAC1-[4-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
SMILESCCCNc1cccc(CN2CCCN(C(C)=O)CC2)n1
InChIInChI=1S/C16H26N4O/c1-3-8-17-16-7-4-6-15(18-16)13-19-9-5-10-20(12-11-19)14(2)21/h4,6-7H,3,5,8-13H2,1-2H3,(H,17,18)
InChIKeyYUGPMSCZVWHQID-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.96
Rot. Bonds5

About 1-[4-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone

1-[4-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone (PubChem CID 79234151) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
PubChem CID79234151
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[4-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
SMILESCCCNc1cccc(CN2CCCN(C(C)=O)CC2)n1
InChIInChI=1S/C16H26N4O/c1-3-8-17-16-7-4-6-15(18-16)13-19-9-5-10-20(12-11-19)14(2)21/h4,6-7H,3,5,8-13H2,1-2H3,(H,17,18)
InChIKeyYUGPMSCZVWHQID-UHFFFAOYSA-N
XLogP1.96
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
CID 79231488
N-propyl-6-[(4-propylazepan-1-yl)methyl]pyridin-2-amine
CID 79234189
6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
CID 79231506
1-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-5-one
CID 79232293
(4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62240932
piperidin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62239787
N-ethyl-6-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 79243422
1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 62470561
[6-(azetidin-1-ylmethyl)-2-pyridinyl]hydrazine
CID 126980714
6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-propylpyridin-2-amine
CID 104968857
1-[4-[[4-(aminomethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 55004248
N-propyl-6-(pyrazol-1-ylmethyl)pyridin-2-amine
CID 79232077

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[4-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone (CID 79234151) is 1-[4-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[4-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone is CCCNc1cccc(CN2CCCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone?
The InChIKey is YUGPMSCZVWHQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-8-17-16-7-4-6-15(18-16)13-19-9-5-10-20(12-11-19)14(2)21/h4,6-7H,3,5,8-13H2,1-2H3,(H,17,18).
What are the key properties of 1-[4-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone?
1-[4-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 79234151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).