N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide

C18H29N3O — CID 110442853

IUPACN-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide
SMILESCN(CCCCCNC(=O)c1cccnc1)C1CCCCC1
InChIInChI=1S/C18H29N3O/c1-21(17-10-4-2-5-11-17)14-7-3-6-13-20-18(22)16-9-8-12-19-15-16/h8-9,12,15,17H,2-7,10-11,13-14H2,1H3,(H,20,22)
InChIKeyOUEPZGBVLKACGF-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.25
Rot. Bonds8

About N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide

N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide (PubChem CID 110442853) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide
PubChem CID110442853
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide
SMILESCN(CCCCCNC(=O)c1cccnc1)C1CCCCC1
InChIInChI=1S/C18H29N3O/c1-21(17-10-4-2-5-11-17)14-7-3-6-13-20-18(22)16-9-8-12-19-15-16/h8-9,12,15,17H,2-7,10-11,13-14H2,1H3,(H,20,22)
InChIKeyOUEPZGBVLKACGF-UHFFFAOYSA-N
XLogP3.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide
CID 110444026
N-octadecylpyridine-3-carboxamide
CID 3547337
N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide
CID 110445656
N-[3-(cyclopentanecarbonylamino)propyl]pyridine-3-carboxamide
CID 108926695
N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide
CID 110442921
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119851139
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
N-(4-cyclohexylbutyl)-4-(pyridine-3-carbonyl)benzamide
CID 102121917
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea
CID 110443807
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292

Frequently Asked Questions

What is the IUPAC name of N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide (CID 110442853) is N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide is CN(CCCCCNC(=O)c1cccnc1)C1CCCCC1.
What is the InChIKey of N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide?
The InChIKey is OUEPZGBVLKACGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-21(17-10-4-2-5-11-17)14-7-3-6-13-20-18(22)16-9-8-12-19-15-16/h8-9,12,15,17H,2-7,10-11,13-14H2,1H3,(H,20,22).
What are the key properties of N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide?
N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide is sourced from PubChem (CID 110442853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).