1-[2-(ethylamino)-4-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

C14H20N4O — CID 103198642

IUPAC1-[2-(ethylamino)-4-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCNc1cc(N2CCCC3C(=O)NCC32)ccn1
InChIInChI=1S/C14H20N4O/c1-2-15-13-8-10(5-6-16-13)18-7-3-4-11-12(18)9-17-14(11)19/h5-6,8,11-12H,2-4,7,9H2,1H3,(H,15,16)(H,17,19)
InChIKeyOYYFBJPGIDHDHK-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.23
Rot. Bonds3

About 1-[2-(ethylamino)-4-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

1-[2-(ethylamino)-4-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 103198642) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[2-(ethylamino)-4-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name1-[2-(ethylamino)-4-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID103198642
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-[2-(ethylamino)-4-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCNc1cc(N2CCCC3C(=O)NCC32)ccn1
InChIInChI=1S/C14H20N4O/c1-2-15-13-8-10(5-6-16-13)18-7-3-4-11-12(18)9-17-14(11)19/h5-6,8,11-12H,2-4,7,9H2,1H3,(H,15,16)(H,17,19)
InChIKeyOYYFBJPGIDHDHK-UHFFFAOYSA-N
XLogP1.23
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(ethylamino)-2-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198668
1-[5-(ethylamino)-3-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198699
1-[2-(propylamino)pyrimidin-4-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198671
[1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol
CID 116640751
1-(4-acetyl-3-hydroxyphenyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196323
1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198613
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198752
1-[4-[(1S)-1-aminoethyl]-2-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196421
1-(4-acetyl-3-aminophenyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194527
1-[4-(1-aminoethyl)phenyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196462
1-[3-fluoro-5-(methylaminomethyl)phenyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 106531134
2-bromo-4-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)benzonitrile
CID 107276822

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-4-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 1-[2-(ethylamino)-4-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one (CID 103198642) is 1-[2-(ethylamino)-4-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 1-[2-(ethylamino)-4-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 1-[2-(ethylamino)-4-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one is CCNc1cc(N2CCCC3C(=O)NCC32)ccn1.
What is the InChIKey of 1-[2-(ethylamino)-4-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is OYYFBJPGIDHDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-15-13-8-10(5-6-16-13)18-7-3-4-11-12(18)9-17-14(11)19/h5-6,8,11-12H,2-4,7,9H2,1H3,(H,15,16)(H,17,19).
What are the key properties of 1-[2-(ethylamino)-4-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
1-[2-(ethylamino)-4-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 260.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-4-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 103198642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).