N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide

C18H29N3O — CID 109161059

IUPACN-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C18H29N3O/c1-2-3-8-13-19-17-12-11-15(14-20-17)18(22)21-16-9-6-4-5-7-10-16/h11-12,14,16H,2-10,13H2,1H3,(H,19,20)(H,21,22)
InChIKeyCOLOMFPCPAIPHB-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.14
Rot. Bonds7

About N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide

N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide (PubChem CID 109161059) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide
PubChem CID109161059
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C18H29N3O/c1-2-3-8-13-19-17-12-11-15(14-20-17)18(22)21-16-9-6-4-5-7-10-16/h11-12,14,16H,2-10,13H2,1H3,(H,19,20)(H,21,22)
InChIKeyCOLOMFPCPAIPHB-UHFFFAOYSA-N
XLogP4.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.14
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

N-cyclooctyl-6-(ethylamino)pyridine-3-carboxamide
CID 62171358
N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109113045
N-cyclobutyl-6-(ethylamino)pyridine-3-carboxamide
CID 62415039
6-(ethylamino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 62173346
6-butoxy-N-cycloheptylpyridine-3-carboxamide
CID 58368248
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
N-cyclopentyl-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 1447863
N-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158626
N-cyclooctyl-6-hydrazinylpyridine-3-carboxamide
CID 62237790
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide
CID 109195288
N-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide
CID 109239498

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide (CID 109161059) is N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide is CCCCCNc1ccc(C(=O)NC2CCCCCC2)cn1.
What is the InChIKey of N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide?
The InChIKey is COLOMFPCPAIPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-2-3-8-13-19-17-12-11-15(14-20-17)18(22)21-16-9-6-4-5-7-10-16/h11-12,14,16H,2-10,13H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide?
N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109161059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).