3-amino-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one

C13H18N2O2 — CID 157041657

IUPAC3-amino-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one
SMILESNc1cc(C2CC2)cn(CC2CCOC2)c1=O
InChIInChI=1S/C13H18N2O2/c14-12-5-11(10-1-2-10)7-15(13(12)16)6-9-3-4-17-8-9/h5,7,9-10H,1-4,6,8,14H2
InChIKeyNCVPNAKOJBXDEP-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.34
Rot. Bonds3

About 3-amino-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one

3-amino-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one (PubChem CID 157041657) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one
PubChem CID157041657
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one
SMILESNc1cc(C2CC2)cn(CC2CCOC2)c1=O
InChIInChI=1S/C13H18N2O2/c14-12-5-11(10-1-2-10)7-15(13(12)16)6-9-3-4-17-8-9/h5,7,9-10H,1-4,6,8,14H2
InChIKeyNCVPNAKOJBXDEP-UHFFFAOYSA-N
XLogP1.34
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-4-methyl-1-(oxolan-3-ylmethyl)pyridin-2-one
CID 21706549
3-amino-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one
CID 137450530
N-[5-cyclopropyl-1-(oxan-4-yl)-2-oxo-3-pyridinyl]acetamide
CID 157041497
3-Amino-5-cyclopropyl-1-(2-methoxyethyl)pyridin-2(1H)-one
CID 157041613
3-Amino-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one
CID 157041777
3-Amino-5-cyclopropyl-1-(oxan-3-yl)pyridin-2-one
CID 157042289
5-Cyclopropyl-3-nitro-1-(oxolan-3-ylmethyl)pyridin-2-one
CID 166507407
5-Cyclopropyl-3-isothiocyanato-1-(oxolan-3-ylmethyl)pyridin-2-one
CID 166833940
3-Amino-1-(3-butoxycyclobutyl)-5-cyclopropylpyridin-2-one
CID 168075869
3-Amino-1-(2-butoxyethyl)-5-cyclopropylpyridin-2-one
CID 168076013
5-Cyclopropyl-3-methyl-1-(oxolan-3-ylmethyl)pyridin-2-one
CID 169959740
3-Amino-1-[[1-(butoxymethyl)cyclopropyl]methyl]-5-cyclopropylpyridin-2-one
CID 170110015

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one?
The IUPAC name of 3-amino-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one (CID 157041657) is 3-amino-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-amino-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one is Nc1cc(C2CC2)cn(CC2CCOC2)c1=O.
What is the InChIKey of 3-amino-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one?
The InChIKey is NCVPNAKOJBXDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-12-5-11(10-1-2-10)7-15(13(12)16)6-9-3-4-17-8-9/h5,7,9-10H,1-4,6,8,14H2.
What are the key properties of 3-amino-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one?
3-amino-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 157041657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).