N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide

C12H12N4O2 — CID 51306029

IUPACN-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnccn2)cn1
InChIInChI=1S/C12H12N4O2/c1-18-11-3-2-9(6-15-11)7-16-12(17)10-8-13-4-5-14-10/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyQCSPINOTNICZMA-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.81
Rot. Bonds4

About N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide

N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide (PubChem CID 51306029) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
PubChem CID51306029
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnccn2)cn1
InChIInChI=1S/C12H12N4O2/c1-18-11-3-2-9(6-15-11)7-16-12(17)10-8-13-4-5-14-10/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyQCSPINOTNICZMA-UHFFFAOYSA-N
XLogP0.81
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide (CID 51306029) is N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide is COc1ccc(CNC(=O)c2cnccn2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The InChIKey is QCSPINOTNICZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-18-11-3-2-9(6-15-11)7-16-12(17)10-8-13-4-5-14-10/h2-6,8H,7H2,1H3,(H,16,17).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide?
N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 51306029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).