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

C15H24N4O — CID 62464134

IUPAC1-[4-[[2-(ethylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
SMILESCCNc1cc(CN2CCCN(C(C)=O)CC2)ccn1
InChIInChI=1S/C15H24N4O/c1-3-16-15-11-14(5-6-17-15)12-18-7-4-8-19(10-9-18)13(2)20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,16,17)
InChIKeyUUUVUORHPLNVBH-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.57
Rot. Bonds4

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

1-[4-[[2-(ethylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone (PubChem CID 62464134) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-[[2-(ethylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(ethylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
PubChem CID62464134
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[4-[[2-(ethylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
SMILESCCNc1cc(CN2CCCN(C(C)=O)CC2)ccn1
InChIInChI=1S/C15H24N4O/c1-3-16-15-11-14(5-6-17-15)12-18-7-4-8-19(10-9-18)13(2)20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,16,17)
InChIKeyUUUVUORHPLNVBH-UHFFFAOYSA-N
XLogP1.57
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 62463955
4-[(4-acetyl-1,4-diazepan-1-yl)methyl]pyridine-2-carbonitrile
CID 63885773
4-[(4-acetyl-1,4-diazepan-1-yl)methyl]pyridine-2-carbothioamide
CID 63881119
N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 62471583
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-N-ethylpyridin-2-amine
CID 63151728
ethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 107877716
1-[4-[(6-hydrazinyl-3-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 62246277
tert-butyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]-1,4-diazepane-1-carboxylate
CID 104933512
1-[4-[[4-(aminomethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 55004248
[2-(ethylamino)pyrimidin-5-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70787566
1-[4-[(3-amino-4-chlorophenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 55004147
2-[4-[(2-hydrazinyl-4-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol
CID 107226403

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(ethylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-(ethylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone (CID 62464134) is 1-[4-[[2-(ethylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-(ethylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-(ethylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone is CCNc1cc(CN2CCCN(C(C)=O)CC2)ccn1.
What is the InChIKey of 1-[4-[[2-(ethylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone?
The InChIKey is UUUVUORHPLNVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-16-15-11-14(5-6-17-15)12-18-7-4-8-19(10-9-18)13(2)20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,16,17).
What are the key properties of 1-[4-[[2-(ethylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone?
1-[4-[[2-(ethylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(ethylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 62464134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).