5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide

C12H12ClN3O2 — CID 107253049

IUPAC5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide
SMILESCc1occc1CN(C)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C12H12ClN3O2/c1-8-9(3-4-18-8)7-16(2)12(17)10-5-15-11(13)6-14-10/h3-6H,7H2,1-2H3
InChIKeyFQERVOMSPOUBNY-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.30
Rot. Bonds3

About 5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide

5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide (PubChem CID 107253049) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide
PubChem CID107253049
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide
SMILESCc1occc1CN(C)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C12H12ClN3O2/c1-8-9(3-4-18-8)7-16(2)12(17)10-5-15-11(13)6-14-10/h3-6H,7H2,1-2H3
InChIKeyFQERVOMSPOUBNY-UHFFFAOYSA-N
XLogP2.30
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide
CID 55052208
5-chloro-N-(furan-3-ylmethyl)-N-methylpyrazine-2-carboxamide
CID 107252485
N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63049964
4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 81226370
5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 103803183
6-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 66463145
4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 115910403
1-[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-pyridinyl]propan-1-one
CID 112583562
N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide
CID 107236575
5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 47379891
2-[4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]triazol-1-yl]acetic acid
CID 66288132
5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
CID 103803319

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide (CID 107253049) is 5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide is Cc1occc1CN(C)C(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is FQERVOMSPOUBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-8-9(3-4-18-8)7-16(2)12(17)10-5-15-11(13)6-14-10/h3-6H,7H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide?
5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107253049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).