5-[(3-ethenyl-4-pyridinyl)amino]-3-methyl-6-propan-2-yl-1H-pyridin-2-one;methane

C17H23N3O — CID 153392321

IUPAC5-[(3-ethenyl-4-pyridinyl)amino]-3-methyl-6-propan-2-yl-1H-pyridin-2-one;methane
SMILESC.C=Cc1cnccc1Nc1cc(C)c(=O)[nH]c1C(C)C
InChIInChI=1S/C16H19N3O.CH4/c1-5-12-9-17-7-6-13(12)18-14-8-11(4)16(20)19-15(14)10(2)3;/h5-10H,1H2,2-4H3,(H,17,18)(H,19,20);1H4
InChIKeyRKBVDXRKYIZROE-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.22
Rot. Bonds4

About 5-[(3-ethenyl-4-pyridinyl)amino]-3-methyl-6-propan-2-yl-1H-pyridin-2-one;methane

5-[(3-ethenyl-4-pyridinyl)amino]-3-methyl-6-propan-2-yl-1H-pyridin-2-one;methane (PubChem CID 153392321) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-[(3-ethenyl-4-pyridinyl)amino]-3-methyl-6-propan-2-yl-1H-pyridin-2-one;methane.

Molecular Properties

Compound Name5-[(3-ethenyl-4-pyridinyl)amino]-3-methyl-6-propan-2-yl-1H-pyridin-2-one;methane
PubChem CID153392321
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-[(3-ethenyl-4-pyridinyl)amino]-3-methyl-6-propan-2-yl-1H-pyridin-2-one;methane
SMILESC.C=Cc1cnccc1Nc1cc(C)c(=O)[nH]c1C(C)C
InChIInChI=1S/C16H19N3O.CH4/c1-5-12-9-17-7-6-13(12)18-14-8-11(4)16(20)19-15(14)10(2)3;/h5-10H,1H2,2-4H3,(H,17,18)(H,19,20);1H4
InChIKeyRKBVDXRKYIZROE-UHFFFAOYSA-N
XLogP4.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethenyl-4-pyridinyl)amino]-3-methyl-6-propan-2-yl-1H-pyridin-2-one;methane?
The IUPAC name of 5-[(3-ethenyl-4-pyridinyl)amino]-3-methyl-6-propan-2-yl-1H-pyridin-2-one;methane (CID 153392321) is 5-[(3-ethenyl-4-pyridinyl)amino]-3-methyl-6-propan-2-yl-1H-pyridin-2-one;methane.
What is the SMILES notation for 5-[(3-ethenyl-4-pyridinyl)amino]-3-methyl-6-propan-2-yl-1H-pyridin-2-one;methane?
The canonical SMILES for 5-[(3-ethenyl-4-pyridinyl)amino]-3-methyl-6-propan-2-yl-1H-pyridin-2-one;methane is C.C=Cc1cnccc1Nc1cc(C)c(=O)[nH]c1C(C)C.
What is the InChIKey of 5-[(3-ethenyl-4-pyridinyl)amino]-3-methyl-6-propan-2-yl-1H-pyridin-2-one;methane?
The InChIKey is RKBVDXRKYIZROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.CH4/c1-5-12-9-17-7-6-13(12)18-14-8-11(4)16(20)19-15(14)10(2)3;/h5-10H,1H2,2-4H3,(H,17,18)(H,19,20);1H4.
What are the key properties of 5-[(3-ethenyl-4-pyridinyl)amino]-3-methyl-6-propan-2-yl-1H-pyridin-2-one;methane?
5-[(3-ethenyl-4-pyridinyl)amino]-3-methyl-6-propan-2-yl-1H-pyridin-2-one;methane has a molecular weight of 285.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethenyl-4-pyridinyl)amino]-3-methyl-6-propan-2-yl-1H-pyridin-2-one;methane is sourced from PubChem (CID 153392321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).