3-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrimidin-4-yl)-1H-pyridin-2-one

C17H19N5O2 — CID 118250975

IUPAC3-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrimidin-4-yl)-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(C)c2cc(-c3cc(C)ncn3)c[nH]c2=O)C1
InChIInChI=1S/C17H19N5O2/c1-4-16(23)22-8-13(9-22)21(3)15-6-12(7-18-17(15)24)14-5-11(2)19-10-20-14/h4-7,10,13H,1,8-9H2,2-3H3,(H,18,24)
InChIKeyYPDQGWVDGHKQGG-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.97
Rot. Bonds4

About 3-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrimidin-4-yl)-1H-pyridin-2-one

3-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrimidin-4-yl)-1H-pyridin-2-one (PubChem CID 118250975) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrimidin-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrimidin-4-yl)-1H-pyridin-2-one
PubChem CID118250975
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrimidin-4-yl)-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(C)c2cc(-c3cc(C)ncn3)c[nH]c2=O)C1
InChIInChI=1S/C17H19N5O2/c1-4-16(23)22-8-13(9-22)21(3)15-6-12(7-18-17(15)24)14-5-11(2)19-10-20-14/h4-7,10,13H,1,8-9H2,2-3H3,(H,18,24)
InChIKeyYPDQGWVDGHKQGG-UHFFFAOYSA-N
XLogP0.97
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-[6-(methylamino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 118251024
3-[[1-(4-aminobut-2-enoyl)azetidin-3-yl]-methylamino]-5-(6-methoxypyrimidin-4-yl)-1H-pyridin-2-one
CID 123163588
3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-methyl-4-pyridinyl)-1H-pyridin-2-one
CID 118250780
3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrimidin-4-yl-1H-pyridin-2-one
CID 118250867
3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one
CID 118261456
5-(6-methylpyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one
CID 118251051
5-[2-(methylamino)-4-pyridinyl]-3-[methyl-(1-prop-2-enoylpiperidin-4-yl)amino]-1H-pyridin-2-one
CID 118251466
5-(2-methoxy-4-pyridinyl)-3-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-1H-pyridin-2-one
CID 118251041
3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrazin-2-yl-1H-pyridin-2-one
CID 118251210
3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-ethylpyrazin-2-yl)-1H-pyridin-2-one
CID 149456394
5-[4-(methylamino)-2-pyridinyl]-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one
CID 118251053
3-[[1-[(E)-4-aminobut-2-enoyl]azetidin-3-yl]-methylamino]-5-(2-methoxypyrimidin-4-yl)-1H-pyridin-2-one
CID 118251314

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrimidin-4-yl)-1H-pyridin-2-one?
The IUPAC name of 3-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrimidin-4-yl)-1H-pyridin-2-one (CID 118250975) is 3-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrimidin-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrimidin-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrimidin-4-yl)-1H-pyridin-2-one is C=CC(=O)N1CC(N(C)c2cc(-c3cc(C)ncn3)c[nH]c2=O)C1.
What is the InChIKey of 3-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrimidin-4-yl)-1H-pyridin-2-one?
The InChIKey is YPDQGWVDGHKQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-4-16(23)22-8-13(9-22)21(3)15-6-12(7-18-17(15)24)14-5-11(2)19-10-20-14/h4-7,10,13H,1,8-9H2,2-3H3,(H,18,24).
What are the key properties of 3-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrimidin-4-yl)-1H-pyridin-2-one?
3-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrimidin-4-yl)-1H-pyridin-2-one has a molecular weight of 325.37 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrimidin-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 118250975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).