N,N-dimethyl-N'-(2-oxo-1,3-dihydroimidazo[4,5-c]pyridin-4-yl)methanimidamide

C9H11N5O — CID 178176991

IUPACN,N-dimethyl-N'-(2-oxo-1,3-dihydroimidazo[4,5-c]pyridin-4-yl)methanimidamide
SMILESCN(C)/C=N/c1nccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C9H11N5O/c1-14(2)5-11-8-7-6(3-4-10-8)12-9(15)13-7/h3-5H,1-2H3,(H2,12,13,15)/b11-5+
InChIKeyCQTDXMXZDNEWMT-VZUCSPMQSA-N
MW205.22 g/mol
LogP0.47
Rot. Bonds2

About N,N-dimethyl-N'-(2-oxo-1,3-dihydroimidazo[4,5-c]pyridin-4-yl)methanimidamide

N,N-dimethyl-N'-(2-oxo-1,3-dihydroimidazo[4,5-c]pyridin-4-yl)methanimidamide (PubChem CID 178176991) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is N,N-dimethyl-N'-(2-oxo-1,3-dihydroimidazo[4,5-c]pyridin-4-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(2-oxo-1,3-dihydroimidazo[4,5-c]pyridin-4-yl)methanimidamide
PubChem CID178176991
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC NameN,N-dimethyl-N'-(2-oxo-1,3-dihydroimidazo[4,5-c]pyridin-4-yl)methanimidamide
SMILESCN(C)/C=N/c1nccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C9H11N5O/c1-14(2)5-11-8-7-6(3-4-10-8)12-9(15)13-7/h3-5H,1-2H3,(H2,12,13,15)/b11-5+
InChIKeyCQTDXMXZDNEWMT-VZUCSPMQSA-N
XLogP0.47
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(2-oxo-1,3-dihydroimidazo[4,5-c]pyridin-4-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(2-oxo-1,3-dihydroimidazo[4,5-c]pyridin-4-yl)methanimidamide (CID 178176991) is N,N-dimethyl-N'-(2-oxo-1,3-dihydroimidazo[4,5-c]pyridin-4-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(2-oxo-1,3-dihydroimidazo[4,5-c]pyridin-4-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(2-oxo-1,3-dihydroimidazo[4,5-c]pyridin-4-yl)methanimidamide is CN(C)/C=N/c1nccc2[nH]c(=O)[nH]c12.
What is the InChIKey of N,N-dimethyl-N'-(2-oxo-1,3-dihydroimidazo[4,5-c]pyridin-4-yl)methanimidamide?
The InChIKey is CQTDXMXZDNEWMT-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H11N5O/c1-14(2)5-11-8-7-6(3-4-10-8)12-9(15)13-7/h3-5H,1-2H3,(H2,12,13,15)/b11-5+.
What are the key properties of N,N-dimethyl-N'-(2-oxo-1,3-dihydroimidazo[4,5-c]pyridin-4-yl)methanimidamide?
N,N-dimethyl-N'-(2-oxo-1,3-dihydroimidazo[4,5-c]pyridin-4-yl)methanimidamide has a molecular weight of 205.22 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(2-oxo-1,3-dihydroimidazo[4,5-c]pyridin-4-yl)methanimidamide is sourced from PubChem (CID 178176991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).