N-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide

C11H11N5O — CID 668426

IUPACN-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide
SMILESCn1cccc1C=NNC(=O)c1cnccn1
InChIInChI=1S/C11H11N5O/c1-16-6-2-3-9(16)7-14-15-11(17)10-8-12-4-5-13-10/h2-8H,1H3,(H,15,17)
InChIKeySMPOQZQEJWAINY-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.58
Rot. Bonds3

About N-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide

N-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide (PubChem CID 668426) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide
PubChem CID668426
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC NameN-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide
SMILESCn1cccc1C=NNC(=O)c1cnccn1
InChIInChI=1S/C11H11N5O/c1-16-6-2-3-9(16)7-14-15-11(17)10-8-12-4-5-13-10/h2-8H,1H3,(H,15,17)
InChIKeySMPOQZQEJWAINY-UHFFFAOYSA-N
XLogP0.58
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
CID 760108
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]quinoline-2-carboxamide
CID 42994985
[(E)-(1-methylpyrrol-2-yl)methylideneamino]carbamic acid
CID 23220001
N-[(Z)-thiophen-2-ylmethylideneamino]pyrazine-2-carboxamide
CID 5395279
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide
CID 6880392
5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide
CID 4062300
N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide
CID 45123007
phenyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate
CID 123762315
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate
CID 139074065
N-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide
CID 71833431
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 135635822
3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide
CID 6875121

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide (CID 668426) is N-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide is Cn1cccc1C=NNC(=O)c1cnccn1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide?
The InChIKey is SMPOQZQEJWAINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-16-6-2-3-9(16)7-14-15-11(17)10-8-12-4-5-13-10/h2-8H,1H3,(H,15,17).
What are the key properties of N-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide?
N-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 668426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).