N-(8-methylundecyl)-6-(propan-2-yldiazenyl)pyridine-3-carboxamide

C21H36N4O — CID 123241051

IUPACN-(8-methylundecyl)-6-(propan-2-yldiazenyl)pyridine-3-carboxamide
SMILESCCCC(C)CCCCCCCNC(=O)c1ccc(/N=N/C(C)C)nc1
InChIInChI=1S/C21H36N4O/c1-5-11-18(4)12-9-7-6-8-10-15-22-21(26)19-13-14-20(23-16-19)25-24-17(2)3/h13-14,16-18H,5-12,15H2,1-4H3,(H,22,26)/b25-24+
InChIKeyQFEKDIGTZUYMRK-OCOZRVBESA-N
MW360.55 g/mol
LogP6.08
Rot. Bonds13

About N-(8-methylundecyl)-6-(propan-2-yldiazenyl)pyridine-3-carboxamide

N-(8-methylundecyl)-6-(propan-2-yldiazenyl)pyridine-3-carboxamide (PubChem CID 123241051) has the molecular formula C21H36N4O and a molecular weight of 360.55 g/mol. Its IUPAC name is N-(8-methylundecyl)-6-(propan-2-yldiazenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(8-methylundecyl)-6-(propan-2-yldiazenyl)pyridine-3-carboxamide
PubChem CID123241051
Molecular FormulaC21H36N4O
Molecular Weight360.55 g/mol
Exact Mass360.29
IUPAC NameN-(8-methylundecyl)-6-(propan-2-yldiazenyl)pyridine-3-carboxamide
SMILESCCCC(C)CCCCCCCNC(=O)c1ccc(/N=N/C(C)C)nc1
InChIInChI=1S/C21H36N4O/c1-5-11-18(4)12-9-7-6-8-10-15-22-21(26)19-13-14-20(23-16-19)25-24-17(2)3/h13-14,16-18H,5-12,15H2,1-4H3,(H,22,26)/b25-24+
InChIKeyQFEKDIGTZUYMRK-OCOZRVBESA-N
XLogP6.08
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.55
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057
N-(4-methylpentyl)-6-propan-2-ylpyridine-3-carboxamide
CID 158554805
4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide
CID 123877140
N-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide
CID 118332905
2-[bis(carboxymethyl)amino]-6-[[4-(propan-2-yldiazenyl)benzoyl]amino]hexanoic acid
CID 91052286
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-(6-hydroxyhexyl)-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide
CID 89063545
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376
4-amino-N-(6-methylheptyl)benzamide
CID 22753103
N-hexyl-4-[(propan-2-ylamino)methyl]benzamide
CID 171639539
N-(5-methylhexyl)-4-(propylamino)benzamide
CID 115327309

Frequently Asked Questions

What is the IUPAC name of N-(8-methylundecyl)-6-(propan-2-yldiazenyl)pyridine-3-carboxamide?
The IUPAC name of N-(8-methylundecyl)-6-(propan-2-yldiazenyl)pyridine-3-carboxamide (CID 123241051) is N-(8-methylundecyl)-6-(propan-2-yldiazenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(8-methylundecyl)-6-(propan-2-yldiazenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(8-methylundecyl)-6-(propan-2-yldiazenyl)pyridine-3-carboxamide is CCCC(C)CCCCCCCNC(=O)c1ccc(/N=N/C(C)C)nc1.
What is the InChIKey of N-(8-methylundecyl)-6-(propan-2-yldiazenyl)pyridine-3-carboxamide?
The InChIKey is QFEKDIGTZUYMRK-OCOZRVBESA-N. The full InChI is InChI=1S/C21H36N4O/c1-5-11-18(4)12-9-7-6-8-10-15-22-21(26)19-13-14-20(23-16-19)25-24-17(2)3/h13-14,16-18H,5-12,15H2,1-4H3,(H,22,26)/b25-24+.
What are the key properties of N-(8-methylundecyl)-6-(propan-2-yldiazenyl)pyridine-3-carboxamide?
N-(8-methylundecyl)-6-(propan-2-yldiazenyl)pyridine-3-carboxamide has a molecular weight of 360.55 g/mol, XLogP of 6.08, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methylundecyl)-6-(propan-2-yldiazenyl)pyridine-3-carboxamide is sourced from PubChem (CID 123241051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).