N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide

C17H19N3O — CID 104641687

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NCC2Cc3ccccc32)nc1
InChIInChI=1S/C17H19N3O/c1-2-18-14-7-8-16(19-11-14)17(21)20-10-13-9-12-5-3-4-6-15(12)13/h3-8,11,13,18H,2,9-10H2,1H3,(H,20,21)
InChIKeyGFUJRUNJDFXUTC-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.58
Rot. Bonds5

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide (PubChem CID 104641687) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide
PubChem CID104641687
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NCC2Cc3ccccc32)nc1
InChIInChI=1S/C17H19N3O/c1-2-18-14-7-8-16(19-11-14)17(21)20-10-13-9-12-5-3-4-6-15(12)13/h3-8,11,13,18H,2,9-10H2,1H3,(H,20,21)
InChIKeyGFUJRUNJDFXUTC-UHFFFAOYSA-N
XLogP2.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide with MolForge

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Related Compounds

6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 61067039
N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-5-chloro-6-ethoxypyridine-3-carboxamide
CID 99807446
5-(ethylamino)-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 104640456
5-(ethylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 104639989
5-(ethylamino)-N-[(1-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 104641394
5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104639889
5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 104640017
(2S)-2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanamide
CID 79024332
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-oxoethyl]phenyl]acetamide
CID 166214928
5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 104639627
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide
CID 51960739
N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104639845

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide (CID 104641687) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide is CCNc1ccc(C(=O)NCC2Cc3ccccc32)nc1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide?
The InChIKey is GFUJRUNJDFXUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-18-14-7-8-16(19-11-14)17(21)20-10-13-9-12-5-3-4-6-15(12)13/h3-8,11,13,18H,2,9-10H2,1H3,(H,20,21).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104641687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).