N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide

C22H30N4O2 — CID 42778869

IUPACN-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide
SMILESCCCCCCCCN(Cc1cccnc1)C(=O)CNC(=O)c1cccnc1
InChIInChI=1S/C22H30N4O2/c1-2-3-4-5-6-7-14-26(18-19-10-8-12-23-15-19)21(27)17-25-22(28)20-11-9-13-24-16-20/h8-13,15-16H,2-7,14,17-18H2,1H3,(H,25,28)
InChIKeyWQUPCQCWVGCNCH-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.60
Rot. Bonds12

About N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide

N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 42778869) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide
PubChem CID42778869
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide
SMILESCCCCCCCCN(Cc1cccnc1)C(=O)CNC(=O)c1cccnc1
InChIInChI=1S/C22H30N4O2/c1-2-3-4-5-6-7-14-26(18-19-10-8-12-23-15-19)21(27)17-25-22(28)20-11-9-13-24-16-20/h8-13,15-16H,2-7,14,17-18H2,1H3,(H,25,28)
InChIKeyWQUPCQCWVGCNCH-UHFFFAOYSA-N
XLogP3.60
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-octadecylpyridine-3-carboxamide
CID 3547337
N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 110743929
N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide
CID 78807864
N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
CID 146558338
N-butyl-N-propylpyridine-3-carboxamide
CID 71107257
3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82323263
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
CID 78813743
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 119064187
N'-dodecanoylpyridine-3-carbohydrazide
CID 171977470

Frequently Asked Questions

What is the IUPAC name of N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide (CID 42778869) is N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide is CCCCCCCCN(Cc1cccnc1)C(=O)CNC(=O)c1cccnc1.
What is the InChIKey of N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is WQUPCQCWVGCNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-2-3-4-5-6-7-14-26(18-19-10-8-12-23-15-19)21(27)17-25-22(28)20-11-9-13-24-16-20/h8-13,15-16H,2-7,14,17-18H2,1H3,(H,25,28).
What are the key properties of N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide?
N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.60, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 42778869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).