3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclohexane-1-carboxamide;hydrochloride

C17H28ClN3O — CID 86779908

IUPAC3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC1CCCC(C(=O)NCCCNCc2cccnc2)C1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-14-5-2-7-16(11-14)17(21)20-10-4-9-19-13-15-6-3-8-18-12-15;/h3,6,8,12,14,16,19H,2,4-5,7,9-11,13H2,1H3,(H,20,21);1H
InChIKeyQYZRUCBBKUSBCZ-UHFFFAOYSA-N
MW325.88 g/mol
LogP2.93
Rot. Bonds7

About 3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclohexane-1-carboxamide;hydrochloride

3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 86779908) has the molecular formula C17H28ClN3O and a molecular weight of 325.88 g/mol. Its IUPAC name is 3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID86779908
Molecular FormulaC17H28ClN3O
Molecular Weight325.88 g/mol
Exact Mass325.19
IUPAC Name3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC1CCCC(C(=O)NCCCNCc2cccnc2)C1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-14-5-2-7-16(11-14)17(21)20-10-4-9-19-13-15-6-3-8-18-12-15;/h3,6,8,12,14,16,19H,2,4-5,7,9-11,13H2,1H3,(H,20,21);1H
InChIKeyQYZRUCBBKUSBCZ-UHFFFAOYSA-N
XLogP2.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-dioxo-N-[3-(pyridin-3-ylmethylamino)propyl]thiolane-3-carboxamide
CID 43600587
2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide
CID 104872228
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide
CID 43600543
N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide
CID 60612463
N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 43600569
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
N-[3-(cyclopentanecarbonylamino)propyl]pyridine-3-carboxamide
CID 108926695
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
N-[3-(pyridin-3-ylmethylamino)propyl]octanamide
CID 43600563
2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride
CID 86779912

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclohexane-1-carboxamide;hydrochloride (CID 86779908) is 3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclohexane-1-carboxamide;hydrochloride is CC1CCCC(C(=O)NCCCNCc2cccnc2)C1.Cl.
What is the InChIKey of 3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is QYZRUCBBKUSBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.ClH/c1-14-5-2-7-16(11-14)17(21)20-10-4-9-19-13-15-6-3-8-18-12-15;/h3,6,8,12,14,16,19H,2,4-5,7,9-11,13H2,1H3,(H,20,21);1H.
What are the key properties of 3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclohexane-1-carboxamide;hydrochloride?
3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 86779908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).