5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide

C11H11ClN4O — CID 107257953

IUPAC5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
SMILESCn1ccc(CNC(=O)c2cnc(Cl)cn2)c1
InChIInChI=1S/C11H11ClN4O/c1-16-3-2-8(7-16)4-15-11(17)9-5-14-10(12)6-13-9/h2-3,5-7H,4H2,1H3,(H,15,17)
InChIKeyIUHBOXPEXBJDFC-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.40
Rot. Bonds3

About 5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide

5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide (PubChem CID 107257953) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
PubChem CID107257953
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
SMILESCn1ccc(CNC(=O)c2cnc(Cl)cn2)c1
InChIInChI=1S/C11H11ClN4O/c1-16-3-2-8(7-16)4-15-11(17)9-5-14-10(12)6-13-9/h2-3,5-7H,4H2,1H3,(H,15,17)
InChIKeyIUHBOXPEXBJDFC-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

6-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
CID 106551470
5-bromo-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-carboxamide
CID 103722013
5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide
CID 107257938
5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide
CID 107244703
5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 113264929
5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide
CID 103721969
5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 103803792
3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide
CID 113257065
N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
CID 107372160
5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide
CID 71655570
5-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 107257898
5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 103803729

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide (CID 107257953) is 5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide is Cn1ccc(CNC(=O)c2cnc(Cl)cn2)c1.
What is the InChIKey of 5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is IUHBOXPEXBJDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-16-3-2-8(7-16)4-15-11(17)9-5-14-10(12)6-13-9/h2-3,5-7H,4H2,1H3,(H,15,17).
What are the key properties of 5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide?
5-chloro-N-[(1-methylpyrrol-3-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-3-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107257953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).