N-(2,5-dihydropyridin-4-yl)-N-methylnitrous amide

C6H9N3O — CID 91490392

IUPACN-(2,5-dihydropyridin-4-yl)-N-methylnitrous amide
SMILESCN(N=O)C1=CCN=CC1
InChIInChI=1S/C6H9N3O/c1-9(8-10)6-2-4-7-5-3-6/h2,5H,3-4H2,1H3
InChIKeySAKYFHGEVDHYSD-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.96
Rot. Bonds2

About N-(2,5-dihydropyridin-4-yl)-N-methylnitrous amide

N-(2,5-dihydropyridin-4-yl)-N-methylnitrous amide (PubChem CID 91490392) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N-(2,5-dihydropyridin-4-yl)-N-methylnitrous amide.

Molecular Properties

Compound NameN-(2,5-dihydropyridin-4-yl)-N-methylnitrous amide
PubChem CID91490392
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN-(2,5-dihydropyridin-4-yl)-N-methylnitrous amide
SMILESCN(N=O)C1=CCN=CC1
InChIInChI=1S/C6H9N3O/c1-9(8-10)6-2-4-7-5-3-6/h2,5H,3-4H2,1H3
InChIKeySAKYFHGEVDHYSD-UHFFFAOYSA-N
XLogP0.96
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2,5-dihydropyridin-4-amine
CID 57063053

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydropyridin-4-yl)-N-methylnitrous amide?
The IUPAC name of N-(2,5-dihydropyridin-4-yl)-N-methylnitrous amide (CID 91490392) is N-(2,5-dihydropyridin-4-yl)-N-methylnitrous amide.
What is the SMILES notation for N-(2,5-dihydropyridin-4-yl)-N-methylnitrous amide?
The canonical SMILES for N-(2,5-dihydropyridin-4-yl)-N-methylnitrous amide is CN(N=O)C1=CCN=CC1.
What is the InChIKey of N-(2,5-dihydropyridin-4-yl)-N-methylnitrous amide?
The InChIKey is SAKYFHGEVDHYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-9(8-10)6-2-4-7-5-3-6/h2,5H,3-4H2,1H3.
What are the key properties of N-(2,5-dihydropyridin-4-yl)-N-methylnitrous amide?
N-(2,5-dihydropyridin-4-yl)-N-methylnitrous amide has a molecular weight of 139.16 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydropyridin-4-yl)-N-methylnitrous amide is sourced from PubChem (CID 91490392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).