3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one

C20H23N5O2 — CID 118250894

IUPAC3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(CC2CC2)c2cc(-c3cncc(C)n3)c[nH]c2=O)C1
InChIInChI=1S/C20H23N5O2/c1-3-19(26)24-11-16(12-24)25(10-14-4-5-14)18-6-15(8-22-20(18)27)17-9-21-7-13(2)23-17/h3,6-9,14,16H,1,4-5,10-12H2,2H3,(H,22,27)
InChIKeyIPSOLZCBHUXBQQ-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.75
Rot. Bonds6

About 3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one

3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one (PubChem CID 118250894) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one
PubChem CID118250894
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(CC2CC2)c2cc(-c3cncc(C)n3)c[nH]c2=O)C1
InChIInChI=1S/C20H23N5O2/c1-3-19(26)24-11-16(12-24)25(10-14-4-5-14)18-6-15(8-22-20(18)27)17-9-21-7-13(2)23-17/h3,6-9,14,16H,1,4-5,10-12H2,2H3,(H,22,27)
InChIKeyIPSOLZCBHUXBQQ-UHFFFAOYSA-N
XLogP1.75
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.75
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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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one (CID 118250894) is 3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one is C=CC(=O)N1CC(N(CC2CC2)c2cc(-c3cncc(C)n3)c[nH]c2=O)C1.
What is the InChIKey of 3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one?
The InChIKey is IPSOLZCBHUXBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-19(26)24-11-16(12-24)25(10-14-4-5-14)18-6-15(8-22-20(18)27)17-9-21-7-13(2)23-17/h3,6-9,14,16H,1,4-5,10-12H2,2H3,(H,22,27).
What are the key properties of 3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one?
3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one has a molecular weight of 365.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 118250894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).