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

C14H20N4O — CID 80635605

IUPAC4-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
SMILESO=C1CN(c2ccc(CNC3CC3)cn2)CCCN1
InChIInChI=1S/C14H20N4O/c19-14-10-18(7-1-6-15-14)13-5-2-11(9-17-13)8-16-12-3-4-12/h2,5,9,12,16H,1,3-4,6-8,10H2,(H,15,19)
InChIKeyVRDIFXZERASSNN-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.66
Rot. Bonds4

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

4-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one (PubChem CID 80635605) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
PubChem CID80635605
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
SMILESO=C1CN(c2ccc(CNC3CC3)cn2)CCCN1
InChIInChI=1S/C14H20N4O/c19-14-10-18(7-1-6-15-14)13-5-2-11(9-17-13)8-16-12-3-4-12/h2,5,9,12,16H,1,3-4,6-8,10H2,(H,15,19)
InChIKeyVRDIFXZERASSNN-UHFFFAOYSA-N
XLogP0.66
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 80635959
4-[5-(hydroxymethyl)-2-pyridinyl]-1,4-diazepan-2-one
CID 80628400
4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 80635677
7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80637251
N-[[6-(4,4-diethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 63160054
(3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine
CID 97224310
N-[[6-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 63621276
1-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-3-methylpiperidin-4-ol
CID 114679337
1-(2-oxoazepan-3-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 51084223
4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one
CID 59019290
N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 55078600
2-chloro-6-methyl-N-[[6-(3-oxopiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 170438849

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one?
The IUPAC name of 4-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one (CID 80635605) is 4-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one.
What is the SMILES notation for 4-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one?
The canonical SMILES for 4-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one is O=C1CN(c2ccc(CNC3CC3)cn2)CCCN1.
What is the InChIKey of 4-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one?
The InChIKey is VRDIFXZERASSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c19-14-10-18(7-1-6-15-14)13-5-2-11(9-17-13)8-16-12-3-4-12/h2,5,9,12,16H,1,3-4,6-8,10H2,(H,15,19).
What are the key properties of 4-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one?
4-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one has a molecular weight of 260.34 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one is sourced from PubChem (CID 80635605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).