1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one

C18H23N3O2 — CID 94961081

IUPAC1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one
SMILESCCN(CCc1ccncc1)Cc1cc(=O)c(O)cn1C1CC1
InChIInChI=1S/C18H23N3O2/c1-2-20(10-7-14-5-8-19-9-6-14)12-16-11-17(22)18(23)13-21(16)15-3-4-15/h5-6,8-9,11,13,15,23H,2-4,7,10,12H2,1H3
InChIKeyPWZDRJKVRPQJLS-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.35
Rot. Bonds7

About 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one

1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one (PubChem CID 94961081) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one
PubChem CID94961081
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one
SMILESCCN(CCc1ccncc1)Cc1cc(=O)c(O)cn1C1CC1
InChIInChI=1S/C18H23N3O2/c1-2-20(10-7-14-5-8-19-9-6-14)12-16-11-17(22)18(23)13-21(16)15-3-4-15/h5-6,8-9,11,13,15,23H,2-4,7,10,12H2,1H3
InChIKeyPWZDRJKVRPQJLS-UHFFFAOYSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one
CID 94960242
2-[[butyl(methyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one
CID 82218438
2-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one
CID 94960232
3-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]benzoic acid
CID 82183854
3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid
CID 82218711
2-[3-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]phenyl]ethanethioamide
CID 94722766
N,2-diethyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 78896115
4-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 82212440
8-(2-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62740660
N,4-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 108987957
1-cyclopropyl-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)pyrrole-3-carboxamide
CID 110698865
N-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687138

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one?
The IUPAC name of 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one (CID 94961081) is 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one.
What is the SMILES notation for 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one?
The canonical SMILES for 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one is CCN(CCc1ccncc1)Cc1cc(=O)c(O)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one?
The InChIKey is PWZDRJKVRPQJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-20(10-7-14-5-8-19-9-6-14)12-16-11-17(22)18(23)13-21(16)15-3-4-15/h5-6,8-9,11,13,15,23H,2-4,7,10,12H2,1H3.
What are the key properties of 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one?
1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one has a molecular weight of 313.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one is sourced from PubChem (CID 94961081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).