ethane;N-(pyridin-2-ylmethyl)formamide

C9H14N2O — CID 144535996

IUPACethane;N-(pyridin-2-ylmethyl)formamide
SMILESCC.O=CNCc1ccccn1
InChIInChI=1S/C7H8N2O.C2H6/c10-6-8-5-7-3-1-2-4-9-7;1-2/h1-4,6H,5H2,(H,8,10);1-2H3
InChIKeyWKRPSIGFNDTOIU-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.35
Rot. Bonds3

About ethane;N-(pyridin-2-ylmethyl)formamide

ethane;N-(pyridin-2-ylmethyl)formamide (PubChem CID 144535996) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is ethane;N-(pyridin-2-ylmethyl)formamide.

Molecular Properties

Compound Nameethane;N-(pyridin-2-ylmethyl)formamide
PubChem CID144535996
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Nameethane;N-(pyridin-2-ylmethyl)formamide
SMILESCC.O=CNCc1ccccn1
InChIInChI=1S/C7H8N2O.C2H6/c10-6-8-5-7-3-1-2-4-9-7;1-2/h1-4,6H,5H2,(H,8,10);1-2H3
InChIKeyWKRPSIGFNDTOIU-UHFFFAOYSA-N
XLogP1.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
2-nitro-N-(pyridin-2-ylmethyl)ethenamine
CID 67930852
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
3-formamido-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 87582308
methyl (2E,4E)-5-(pyridin-2-ylmethylamino)penta-2,4-dienoate
CID 10846468
N-(pyridazin-3-ylmethyl)formamide
CID 23498776
2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine
CID 115632570
N,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine
CID 66810165
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539

Frequently Asked Questions

What is the IUPAC name of ethane;N-(pyridin-2-ylmethyl)formamide?
The IUPAC name of ethane;N-(pyridin-2-ylmethyl)formamide (CID 144535996) is ethane;N-(pyridin-2-ylmethyl)formamide.
What is the SMILES notation for ethane;N-(pyridin-2-ylmethyl)formamide?
The canonical SMILES for ethane;N-(pyridin-2-ylmethyl)formamide is CC.O=CNCc1ccccn1.
What is the InChIKey of ethane;N-(pyridin-2-ylmethyl)formamide?
The InChIKey is WKRPSIGFNDTOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.C2H6/c10-6-8-5-7-3-1-2-4-9-7;1-2/h1-4,6H,5H2,(H,8,10);1-2H3.
What are the key properties of ethane;N-(pyridin-2-ylmethyl)formamide?
ethane;N-(pyridin-2-ylmethyl)formamide has a molecular weight of 166.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(pyridin-2-ylmethyl)formamide is sourced from PubChem (CID 144535996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).