5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide

C14H14ClN3O2 — CID 103803183

IUPAC5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C14H14ClN3O2/c1-18(9-10-5-3-4-6-12(10)20-2)14(19)11-7-17-13(15)8-16-11/h3-8H,9H2,1-2H3
InChIKeyWYIWNEIOSDZDBP-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.41
Rot. Bonds4

About 5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide

5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide (PubChem CID 103803183) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
PubChem CID103803183
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C14H14ClN3O2/c1-18(9-10-5-3-4-6-12(10)20-2)14(19)11-7-17-13(15)8-16-11/h3-8H,9H2,1-2H3
InChIKeyWYIWNEIOSDZDBP-UHFFFAOYSA-N
XLogP2.41
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide
CID 107236575
5-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 107377812
N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 31234095
3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 35136218
6-amino-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62239842
5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide
CID 107253049
3-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 61417620
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103748911
4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 17412285
5-chloro-N-(furan-3-ylmethyl)-N-methylpyrazine-2-carboxamide
CID 107252485
3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221354
5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 61111701

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide (CID 103803183) is 5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide is COc1ccccc1CN(C)C(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is WYIWNEIOSDZDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-18(9-10-5-3-4-6-12(10)20-2)14(19)11-7-17-13(15)8-16-11/h3-8H,9H2,1-2H3.
What are the key properties of 5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide?
5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 103803183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).