1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one

C16H26N4O — CID 115939578

IUPAC1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one
SMILESCCCNC(CC)c1ccc(N2CCNC(=O)CC2)cn1
InChIInChI=1S/C16H26N4O/c1-3-8-17-14(4-2)15-6-5-13(12-19-15)20-10-7-16(21)18-9-11-20/h5-6,12,14,17H,3-4,7-11H2,1-2H3,(H,18,21)
InChIKeyQLGOIEHNUVCCME-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.86
Rot. Bonds6

About 1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one

1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one (PubChem CID 115939578) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one
PubChem CID115939578
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one
SMILESCCCNC(CC)c1ccc(N2CCNC(=O)CC2)cn1
InChIInChI=1S/C16H26N4O/c1-3-8-17-14(4-2)15-6-5-13(12-19-15)20-10-7-16(21)18-9-11-20/h5-6,12,14,17H,3-4,7-11H2,1-2H3,(H,18,21)
InChIKeyQLGOIEHNUVCCME-UHFFFAOYSA-N
XLogP1.86
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-5-one
CID 83127452
4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one
CID 112584096
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine
CID 115939163
4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one
CID 115939614
4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione
CID 112584497
4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one
CID 83131847
N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]propan-1-amine
CID 83122279
1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one
CID 115995191
N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine
CID 115939650
1-(5-methoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584694
1-[4-[(1S)-1-aminoethyl]phenyl]-1,4-diazepan-5-one
CID 63369103
1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584697

Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one?
The IUPAC name of 1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one (CID 115939578) is 1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one is CCCNC(CC)c1ccc(N2CCNC(=O)CC2)cn1.
What is the InChIKey of 1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one?
The InChIKey is QLGOIEHNUVCCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-8-17-14(4-2)15-6-5-13(12-19-15)20-10-7-16(21)18-9-11-20/h5-6,12,14,17H,3-4,7-11H2,1-2H3,(H,18,21).
What are the key properties of 1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one?
1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one has a molecular weight of 290.41 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one is sourced from PubChem (CID 115939578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).