5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide

C11H11ClN4O — CID 107257938

IUPAC5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide
SMILESCn1cccc1CNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H11ClN4O/c1-16-4-2-3-8(16)5-15-11(17)9-6-14-10(12)7-13-9/h2-4,6-7H,5H2,1H3,(H,15,17)
InChIKeyMGQZHLAFDVRWEH-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.40
Rot. Bonds3

About 5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide

5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide (PubChem CID 107257938) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide
PubChem CID107257938
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide
SMILESCn1cccc1CNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H11ClN4O/c1-16-4-2-3-8(16)5-15-11(17)9-6-14-10(12)7-13-9/h2-4,6-7H,5H2,1H3,(H,15,17)
InChIKeyMGQZHLAFDVRWEH-UHFFFAOYSA-N
XLogP1.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide
CID 110471197
5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
CID 107257953
2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-5-nitropyridine-4-carboxamide
CID 103734127
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103873581
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 110474082
3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide
CID 106415778
1-chloro-N-[(1-methylpyrrol-2-yl)methyl]isoquinoline-3-carboxamide
CID 103714433
5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide
CID 107244703
2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide
CID 106415762
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103755664
2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473992

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide (CID 107257938) is 5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide is Cn1cccc1CNC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is MGQZHLAFDVRWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-16-4-2-3-8(16)5-15-11(17)9-6-14-10(12)7-13-9/h2-4,6-7H,5H2,1H3,(H,15,17).
What are the key properties of 5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide?
5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107257938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).