N-[4-(pyridine-3-carbonyldiazenyl)butyl]pyridine-3-carboxamide

C16H17N5O2 — CID 121405803

IUPACN-[4-(pyridine-3-carbonyldiazenyl)butyl]pyridine-3-carboxamide
SMILESO=C(/N=N/CCCCNC(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C16H17N5O2/c22-15(13-5-3-7-17-11-13)19-9-1-2-10-20-21-16(23)14-6-4-8-18-12-14/h3-8,11-12H,1-2,9-10H2,(H,19,22)/b21-20+
InChIKeyMDNMOOMXTWCYRB-QZQOTICOSA-N
MW311.34 g/mol
LogP2.28
Rot. Bonds7

About N-[4-(pyridine-3-carbonyldiazenyl)butyl]pyridine-3-carboxamide

N-[4-(pyridine-3-carbonyldiazenyl)butyl]pyridine-3-carboxamide (PubChem CID 121405803) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[4-(pyridine-3-carbonyldiazenyl)butyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(pyridine-3-carbonyldiazenyl)butyl]pyridine-3-carboxamide
PubChem CID121405803
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC NameN-[4-(pyridine-3-carbonyldiazenyl)butyl]pyridine-3-carboxamide
SMILESO=C(/N=N/CCCCNC(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C16H17N5O2/c22-15(13-5-3-7-17-11-13)19-9-1-2-10-20-21-16(23)14-6-4-8-18-12-14/h3-8,11-12H,1-2,9-10H2,(H,19,22)/b21-20+
InChIKeyMDNMOOMXTWCYRB-QZQOTICOSA-N
XLogP2.28
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
N-octadecylpyridine-3-carboxamide
CID 3547337
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-(4-amino-4-hydroxyiminobutyl)pyridine-3-carboxamide
CID 76947453
S-(sulfanylmethyl) 4-(pyridine-3-carbonylamino)butanethioate
CID 123417051
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide
CID 90500651

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridine-3-carbonyldiazenyl)butyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(pyridine-3-carbonyldiazenyl)butyl]pyridine-3-carboxamide (CID 121405803) is N-[4-(pyridine-3-carbonyldiazenyl)butyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(pyridine-3-carbonyldiazenyl)butyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(pyridine-3-carbonyldiazenyl)butyl]pyridine-3-carboxamide is O=C(/N=N/CCCCNC(=O)c1cccnc1)c1cccnc1.
What is the InChIKey of N-[4-(pyridine-3-carbonyldiazenyl)butyl]pyridine-3-carboxamide?
The InChIKey is MDNMOOMXTWCYRB-QZQOTICOSA-N. The full InChI is InChI=1S/C16H17N5O2/c22-15(13-5-3-7-17-11-13)19-9-1-2-10-20-21-16(23)14-6-4-8-18-12-14/h3-8,11-12H,1-2,9-10H2,(H,19,22)/b21-20+.
What are the key properties of N-[4-(pyridine-3-carbonyldiazenyl)butyl]pyridine-3-carboxamide?
N-[4-(pyridine-3-carbonyldiazenyl)butyl]pyridine-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridine-3-carbonyldiazenyl)butyl]pyridine-3-carboxamide is sourced from PubChem (CID 121405803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).