N-[6-(pyridine-4-carbonylamino)hexyl]pyridine-4-carboxamide

C18H22N4O2 — CID 5127110

IUPACN-[6-(pyridine-4-carbonylamino)hexyl]pyridine-4-carboxamide
SMILESO=C(NCCCCCCNC(=O)c1ccncc1)c1ccncc1
InChIInChI=1S/C18H22N4O2/c23-17(15-5-11-19-12-6-15)21-9-3-1-2-4-10-22-18(24)16-7-13-20-14-8-16/h5-8,11-14H,1-4,9-10H2,(H,21,23)(H,22,24)
InChIKeyGALBBNXAQQLEJF-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.20
Rot. Bonds9

About N-[6-(pyridine-4-carbonylamino)hexyl]pyridine-4-carboxamide

N-[6-(pyridine-4-carbonylamino)hexyl]pyridine-4-carboxamide (PubChem CID 5127110) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[6-(pyridine-4-carbonylamino)hexyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(pyridine-4-carbonylamino)hexyl]pyridine-4-carboxamide
PubChem CID5127110
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[6-(pyridine-4-carbonylamino)hexyl]pyridine-4-carboxamide
SMILESO=C(NCCCCCCNC(=O)c1ccncc1)c1ccncc1
InChIInChI=1S/C18H22N4O2/c23-17(15-5-11-19-12-6-15)21-9-3-1-2-4-10-22-18(24)16-7-13-20-14-8-16/h5-8,11-14H,1-4,9-10H2,(H,21,23)(H,22,24)
InChIKeyGALBBNXAQQLEJF-UHFFFAOYSA-N
XLogP2.20
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Nialamide
CID 4472
Isonicotinamide
CID 15074
Daporinad
CID 6914657
Acetylisoniazid
CID 71602
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CID 71234
Enisamium Iodide
CID 10089466
Metazide
CID 15568
3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146
N-Ethylnicotinamide
CID 78007
(2E,6E)-2,6-bis(pyridin-4-ylmethylene)cyclohexanone
CID 6018993
N'-[(1E)-pyridin-2-ylmethylene]isonicotinohydrazide
CID 5469565
Asoxime chloride
CID 135444627

Frequently Asked Questions

What is the IUPAC name of N-[6-(pyridine-4-carbonylamino)hexyl]pyridine-4-carboxamide?
The IUPAC name of N-[6-(pyridine-4-carbonylamino)hexyl]pyridine-4-carboxamide (CID 5127110) is N-[6-(pyridine-4-carbonylamino)hexyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[6-(pyridine-4-carbonylamino)hexyl]pyridine-4-carboxamide?
The canonical SMILES for N-[6-(pyridine-4-carbonylamino)hexyl]pyridine-4-carboxamide is O=C(NCCCCCCNC(=O)c1ccncc1)c1ccncc1.
What is the InChIKey of N-[6-(pyridine-4-carbonylamino)hexyl]pyridine-4-carboxamide?
The InChIKey is GALBBNXAQQLEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17(15-5-11-19-12-6-15)21-9-3-1-2-4-10-22-18(24)16-7-13-20-14-8-16/h5-8,11-14H,1-4,9-10H2,(H,21,23)(H,22,24).
What are the key properties of N-[6-(pyridine-4-carbonylamino)hexyl]pyridine-4-carboxamide?
N-[6-(pyridine-4-carbonylamino)hexyl]pyridine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pyridine-4-carbonylamino)hexyl]pyridine-4-carboxamide is sourced from PubChem (CID 5127110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).