N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide

C12H12N4O — CID 760108

IUPACN-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
SMILESCn1cccc1C=NNC(=O)c1cccnc1
InChIInChI=1S/C12H12N4O/c1-16-7-3-5-11(16)9-14-15-12(17)10-4-2-6-13-8-10/h2-9H,1H3,(H,15,17)
InChIKeyHWSHOKFQVBTFRP-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.18
Rot. Bonds3

About N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide

N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 760108) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID760108
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC NameN-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
SMILESCn1cccc1C=NNC(=O)c1cccnc1
InChIInChI=1S/C12H12N4O/c1-16-7-3-5-11(16)9-14-15-12(17)10-4-2-6-13-8-10/h2-9H,1H3,(H,15,17)
InChIKeyHWSHOKFQVBTFRP-UHFFFAOYSA-N
XLogP1.18
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]pyrazine-2-carboxamide
CID 668426
3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide
CID 6875121
N-[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
CID 50855840
5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide
CID 4062300
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
methyl 1-methyl-4-[(pyridine-3-carbonylhydrazinylidene)methyl]pyrrole-2-carboxylate
CID 2741940
N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide
CID 577497
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide
CID 6880392
N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 3909937
N-(prop-2-enylideneamino)pyridine-3-carboxamide
CID 4591479
N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide
CID 45123007
N-[(E)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 6905938

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide (CID 760108) is N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide is Cn1cccc1C=NNC(=O)c1cccnc1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is HWSHOKFQVBTFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-16-7-3-5-11(16)9-14-15-12(17)10-4-2-6-13-8-10/h2-9H,1H3,(H,15,17).
What are the key properties of N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide?
N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 760108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).