1-ethyl-5-[[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]methyl]pyridin-2-one

C17H26N4O — CID 53191753

IUPAC1-ethyl-5-[[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]methyl]pyridin-2-one
SMILESCCCn1nc(C)cc1CN(C)Cc1ccc(=O)n(CC)c1
InChIInChI=1S/C17H26N4O/c1-5-9-21-16(10-14(3)18-21)13-19(4)11-15-7-8-17(22)20(6-2)12-15/h7-8,10,12H,5-6,9,11,13H2,1-4H3
InChIKeyUNSDBIOVKANYFB-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.42
Rot. Bonds7

About 1-ethyl-5-[[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]methyl]pyridin-2-one

1-ethyl-5-[[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]methyl]pyridin-2-one (PubChem CID 53191753) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-ethyl-5-[[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]methyl]pyridin-2-one
PubChem CID53191753
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-ethyl-5-[[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]methyl]pyridin-2-one
SMILESCCCn1nc(C)cc1CN(C)Cc1ccc(=O)n(CC)c1
InChIInChI=1S/C17H26N4O/c1-5-9-21-16(10-14(3)18-21)13-19(4)11-15-7-8-17(22)20(6-2)12-15/h7-8,10,12H,5-6,9,11,13H2,1-4H3
InChIKeyUNSDBIOVKANYFB-UHFFFAOYSA-N
XLogP2.42
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]methyl]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]methyl]pyridin-2-one (CID 53191753) is 1-ethyl-5-[[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]methyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]methyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]methyl]pyridin-2-one is CCCn1nc(C)cc1CN(C)Cc1ccc(=O)n(CC)c1.
What is the InChIKey of 1-ethyl-5-[[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]methyl]pyridin-2-one?
The InChIKey is UNSDBIOVKANYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-5-9-21-16(10-14(3)18-21)13-19(4)11-15-7-8-17(22)20(6-2)12-15/h7-8,10,12H,5-6,9,11,13H2,1-4H3.
What are the key properties of 1-ethyl-5-[[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]methyl]pyridin-2-one?
1-ethyl-5-[[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]methyl]pyridin-2-one has a molecular weight of 302.42 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]methyl]pyridin-2-one is sourced from PubChem (CID 53191753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).