N'-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide

C20H23N6+ — CID 5487999

IUPACN'-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide
SMILESCn1c(-c2ccc(C=N/N=C(\N)N3CCCC3)cc2)c[n+]2ccccc12
InChIInChI=1S/C20H23N6/c1-24-18(15-26-13-3-2-6-19(24)26)17-9-7-16(8-10-17)14-22-23-20(21)25-11-4-5-12-25/h2-3,6-10,13-15H,4-5,11-12H2,1H3,(H2,21,23)/q+1
InChIKeyOAMCFDRHMBXRKG-UHFFFAOYSA-N
MW347.45 g/mol
LogP2.18
Rot. Bonds3

About N'-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide

N'-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide (PubChem CID 5487999) has the molecular formula C20H23N6+ and a molecular weight of 347.45 g/mol. Its IUPAC name is N'-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide
PubChem CID5487999
Molecular FormulaC20H23N6+
Molecular Weight347.45 g/mol
Exact Mass347.20
IUPAC NameN'-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide
SMILESCn1c(-c2ccc(C=N/N=C(\N)N3CCCC3)cc2)c[n+]2ccccc12
InChIInChI=1S/C20H23N6/c1-24-18(15-26-13-3-2-6-19(24)26)17-9-7-16(8-10-17)14-22-23-20(21)25-11-4-5-12-25/h2-3,6-10,13-15H,4-5,11-12H2,1H3,(H2,21,23)/q+1
InChIKeyOAMCFDRHMBXRKG-UHFFFAOYSA-N
XLogP2.18
TPSA63.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide?
The IUPAC name of N'-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide (CID 5487999) is N'-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide is Cn1c(-c2ccc(C=N/N=C(\N)N3CCCC3)cc2)c[n+]2ccccc12.
What is the InChIKey of N'-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide?
The InChIKey is OAMCFDRHMBXRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N6/c1-24-18(15-26-13-3-2-6-19(24)26)17-9-7-16(8-10-17)14-22-23-20(21)25-11-4-5-12-25/h2-3,6-10,13-15H,4-5,11-12H2,1H3,(H2,21,23)/q+1.
What are the key properties of N'-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide?
N'-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide has a molecular weight of 347.45 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 5487999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).