4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one

C15H24N4O — CID 80635677

IUPAC4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
SMILESCC(C)CNCc1ccc(N2CCCNC(=O)C2)nc1
InChIInChI=1S/C15H24N4O/c1-12(2)8-16-9-13-4-5-14(18-10-13)19-7-3-6-17-15(20)11-19/h4-5,10,12,16H,3,6-9,11H2,1-2H3,(H,17,20)
InChIKeyKBRDWQLXAVBDMR-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.15
Rot. Bonds5

About 4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one

4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one (PubChem CID 80635677) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
PubChem CID80635677
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
SMILESCC(C)CNCc1ccc(N2CCCNC(=O)C2)nc1
InChIInChI=1S/C15H24N4O/c1-12(2)8-16-9-13-4-5-14(18-10-13)19-7-3-6-17-15(20)11-19/h4-5,10,12,16H,3,6-9,11H2,1-2H3,(H,17,20)
InChIKeyKBRDWQLXAVBDMR-UHFFFAOYSA-N
XLogP1.15
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one with MolForge

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Related Compounds

4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 80635959
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
4-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 80635605
4-[5-(hydroxymethyl)-2-pyridinyl]-1,4-diazepan-2-one
CID 80628400
2-methyl-N-[[6-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 63625251
1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 80632248
1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 80630040
2-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 60777709
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64579644
[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol
CID 80629932
N-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62288556
2-methyl-N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine
CID 66371207

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one?
The IUPAC name of 4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one (CID 80635677) is 4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one.
What is the SMILES notation for 4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one?
The canonical SMILES for 4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one is CC(C)CNCc1ccc(N2CCCNC(=O)C2)nc1.
What is the InChIKey of 4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one?
The InChIKey is KBRDWQLXAVBDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(2)8-16-9-13-4-5-14(18-10-13)19-7-3-6-17-15(20)11-19/h4-5,10,12,16H,3,6-9,11H2,1-2H3,(H,17,20).
What are the key properties of 4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one?
4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one is sourced from PubChem (CID 80635677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).