1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one

C17H23N3O — CID 82899373

IUPAC1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one
SMILESCCNC(c1ccn(CCn2ccccc2=O)c1)C1CC1
InChIInChI=1S/C17H23N3O/c1-2-18-17(14-6-7-14)15-8-10-19(13-15)11-12-20-9-4-3-5-16(20)21/h3-5,8-10,13-14,17-18H,2,6-7,11-12H2,1H3
InChIKeyUSBDDQMYLJCPIG-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.41
Rot. Bonds7

About 1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one

1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one (PubChem CID 82899373) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one
PubChem CID82899373
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one
SMILESCCNC(c1ccn(CCn2ccccc2=O)c1)C1CC1
InChIInChI=1S/C17H23N3O/c1-2-18-17(14-6-7-14)15-8-10-19(13-15)11-12-20-9-4-3-5-16(20)21/h3-5,8-10,13-14,17-18H,2,6-7,11-12H2,1H3
InChIKeyUSBDDQMYLJCPIG-UHFFFAOYSA-N
XLogP2.41
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one (CID 82899373) is 1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one is CCNC(c1ccn(CCn2ccccc2=O)c1)C1CC1.
What is the InChIKey of 1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one?
The InChIKey is USBDDQMYLJCPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-18-17(14-6-7-14)15-8-10-19(13-15)11-12-20-9-4-3-5-16(20)21/h3-5,8-10,13-14,17-18H,2,6-7,11-12H2,1H3.
What are the key properties of 1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one?
1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82899373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).