3-amino-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide

C18H21N5O2 — CID 145085908

IUPAC3-amino-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESC=C(O/C=C\C)c1nc(N)c(C(=O)NC(C)c2ccccn2)nc1C
InChIInChI=1S/C18H21N5O2/c1-5-10-25-13(4)15-12(3)21-16(17(19)23-15)18(24)22-11(2)14-8-6-7-9-20-14/h5-11H,4H2,1-3H3,(H2,19,23)(H,22,24)/b10-5-
InChIKeyXSERHNHSUMJUAN-YHYXMXQVSA-N
MW339.40 g/mol
LogP2.77
Rot. Bonds6

About 3-amino-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide

3-amino-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide (PubChem CID 145085908) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-amino-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
PubChem CID145085908
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name3-amino-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESC=C(O/C=C\C)c1nc(N)c(C(=O)NC(C)c2ccccn2)nc1C
InChIInChI=1S/C18H21N5O2/c1-5-10-25-13(4)15-12(3)21-16(17(19)23-15)18(24)22-11(2)14-8-6-7-9-20-14/h5-11H,4H2,1-3H3,(H2,19,23)(H,22,24)/b10-5-
InChIKeyXSERHNHSUMJUAN-YHYXMXQVSA-N
XLogP2.77
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide (CID 145085908) is 3-amino-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide is C=C(O/C=C\C)c1nc(N)c(C(=O)NC(C)c2ccccn2)nc1C.
What is the InChIKey of 3-amino-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The InChIKey is XSERHNHSUMJUAN-YHYXMXQVSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-5-10-25-13(4)15-12(3)21-16(17(19)23-15)18(24)22-11(2)14-8-6-7-9-20-14/h5-11H,4H2,1-3H3,(H2,19,23)(H,22,24)/b10-5-.
What are the key properties of 3-amino-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
3-amino-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 145085908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).