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

C12H11ClN4O2 — CID 113264929

IUPAC5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(Cl)cn2)cn1
InChIInChI=1S/C12H11ClN4O2/c1-19-11-3-2-8(4-16-11)5-17-12(18)9-6-15-10(13)7-14-9/h2-4,6-7H,5H2,1H3,(H,17,18)
InChIKeyRHZBSZLLBCAURS-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.46
Rot. Bonds4

About 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide

5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide (PubChem CID 113264929) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
PubChem CID113264929
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(Cl)cn2)cn1
InChIInChI=1S/C12H11ClN4O2/c1-19-11-3-2-8(4-16-11)5-17-12(18)9-6-15-10(13)7-14-9/h2-4,6-7H,5H2,1H3,(H,17,18)
InChIKeyRHZBSZLLBCAURS-UHFFFAOYSA-N
XLogP1.46
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 51306029
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide
CID 107244703
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 113323529
N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147431
3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51305940
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
CID 107257953
2-(2,4-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51303949
5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 107185089

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide (CID 113264929) is 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide is COc1ccc(CNC(=O)c2cnc(Cl)cn2)cn1.
What is the InChIKey of 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The InChIKey is RHZBSZLLBCAURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-19-11-3-2-8(4-16-11)5-17-12(18)9-6-15-10(13)7-14-9/h2-4,6-7H,5H2,1H3,(H,17,18).
What are the key properties of 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide?
5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide has a molecular weight of 278.70 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 113264929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).