N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride

C18H23ClN4O2 — CID 54601367

IUPACN-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCCCNC(=O)c1ccccn1)c1ccccn1
InChIInChI=1S/C18H22N4O2.ClH/c23-17(15-9-3-7-11-19-15)21-13-5-1-2-6-14-22-18(24)16-10-4-8-12-20-16;/h3-4,7-12H,1-2,5-6,13-14H2,(H,21,23)(H,22,24);1H
InChIKeyKYXUMMSLNDYNSR-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.62
Rot. Bonds9

About N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride

N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride (PubChem CID 54601367) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
PubChem CID54601367
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCCCNC(=O)c1ccccn1)c1ccccn1
InChIInChI=1S/C18H22N4O2.ClH/c23-17(15-9-3-7-11-19-15)21-13-5-1-2-6-14-22-18(24)16-10-4-8-12-20-16;/h3-4,7-12H,1-2,5-6,13-14H2,(H,21,23)(H,22,24);1H
InChIKeyKYXUMMSLNDYNSR-UHFFFAOYSA-N
XLogP2.62
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.62
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

6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
N-(9-oxononyl)pyridine-2-carboxamide
CID 130335282
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
(E)-but-2-enedioic acid;N-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide
CID 155880885
N-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide
CID 169317979
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
N-[3-[methyl-[3-(methylamino)propyl]amino]propyl]pyridine-2-carboxamide
CID 59828295
N-[2-[methyl-[2-(pyridine-2-carbonylamino)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 15495474
N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide
CID 106157892
N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide
CID 55932888
N-(2-hydroxyethyl)pyridine-2-carboxamide;nitric acid
CID 157371793

Frequently Asked Questions

What is the IUPAC name of N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride (CID 54601367) is N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride is Cl.O=C(NCCCCCCNC(=O)c1ccccn1)c1ccccn1.
What is the InChIKey of N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride?
The InChIKey is KYXUMMSLNDYNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.ClH/c23-17(15-9-3-7-11-19-15)21-13-5-1-2-6-14-22-18(24)16-10-4-8-12-20-16;/h3-4,7-12H,1-2,5-6,13-14H2,(H,21,23)(H,22,24);1H.
What are the key properties of N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride?
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 54601367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).