6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide

C13H18N6O — CID 62248208

IUPAC6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
SMILESNNc1cccc(C(=O)NCCCCn2ccnc2)n1
InChIInChI=1S/C13H18N6O/c14-18-12-5-3-4-11(17-12)13(20)16-6-1-2-8-19-9-7-15-10-19/h3-5,7,9-10H,1-2,6,8,14H2,(H,16,20)(H,17,18)
InChIKeyDGEJZZFVWOEALM-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.77
Rot. Bonds7

About 6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide

6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide (PubChem CID 62248208) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
PubChem CID62248208
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
SMILESNNc1cccc(C(=O)NCCCCn2ccnc2)n1
InChIInChI=1S/C13H18N6O/c14-18-12-5-3-4-11(17-12)13(20)16-6-1-2-8-19-9-7-15-10-19/h3-5,7,9-10H,1-2,6,8,14H2,(H,16,20)(H,17,18)
InChIKeyDGEJZZFVWOEALM-UHFFFAOYSA-N
XLogP0.77
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62240015
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370
6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 62234153
6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 103889552
6-hydrazinyl-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide
CID 62243688
6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 115497664
N-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide
CID 174225056
2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 62242563
N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide
CID 110445327
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 61229321

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide?
The IUPAC name of 6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide (CID 62248208) is 6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide is NNc1cccc(C(=O)NCCCCn2ccnc2)n1.
What is the InChIKey of 6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide?
The InChIKey is DGEJZZFVWOEALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c14-18-12-5-3-4-11(17-12)13(20)16-6-1-2-8-19-9-7-15-10-19/h3-5,7,9-10H,1-2,6,8,14H2,(H,16,20)(H,17,18).
What are the key properties of 6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide?
6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 62248208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).