3-[(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one

C18H20N4O2 — CID 118251452

IUPAC3-[(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one
SMILESC=CC(=O)N1CCC(Nc2cc(-c3ccncc3)c[nH]c2=O)CC1
InChIInChI=1S/C18H20N4O2/c1-2-17(23)22-9-5-15(6-10-22)21-16-11-14(12-20-18(16)24)13-3-7-19-8-4-13/h2-4,7-8,11-12,15,21H,1,5-6,9-10H2,(H,20,24)
InChIKeyBAVJWKWCUGEHFU-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.03
Rot. Bonds4

About 3-[(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one

3-[(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one (PubChem CID 118251452) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one
PubChem CID118251452
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-[(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one
SMILESC=CC(=O)N1CCC(Nc2cc(-c3ccncc3)c[nH]c2=O)CC1
InChIInChI=1S/C18H20N4O2/c1-2-17(23)22-9-5-15(6-10-22)21-16-11-14(12-20-18(16)24)13-3-7-19-8-4-13/h2-4,7-8,11-12,15,21H,1,5-6,9-10H2,(H,20,24)
InChIKeyBAVJWKWCUGEHFU-UHFFFAOYSA-N
XLogP2.03
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one?
The IUPAC name of 3-[(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one (CID 118251452) is 3-[(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one is C=CC(=O)N1CCC(Nc2cc(-c3ccncc3)c[nH]c2=O)CC1.
What is the InChIKey of 3-[(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one?
The InChIKey is BAVJWKWCUGEHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-17(23)22-9-5-15(6-10-22)21-16-11-14(12-20-18(16)24)13-3-7-19-8-4-13/h2-4,7-8,11-12,15,21H,1,5-6,9-10H2,(H,20,24).
What are the key properties of 3-[(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one?
3-[(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one has a molecular weight of 324.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 118251452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).