N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide

C16H25N3O — CID 113023958

IUPACN-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide
SMILESCCCCNc1ccc(NC(=O)C2CCCCC2)nc1
InChIInChI=1S/C16H25N3O/c1-2-3-11-17-14-9-10-15(18-12-14)19-16(20)13-7-5-4-6-8-13/h9-10,12-13,17H,2-8,11H2,1H3,(H,18,19,20)
InChIKeyVHTPOUCUPMWECB-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.81
Rot. Bonds6

About N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide

N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide (PubChem CID 113023958) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide
PubChem CID113023958
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide
SMILESCCCCNc1ccc(NC(=O)C2CCCCC2)nc1
InChIInChI=1S/C16H25N3O/c1-2-3-11-17-14-9-10-15(18-12-14)19-16(20)13-7-5-4-6-8-13/h9-10,12-13,17H,2-8,11H2,1H3,(H,18,19,20)
InChIKeyVHTPOUCUPMWECB-UHFFFAOYSA-N
XLogP3.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.81
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-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide
CID 113024024
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 1452761
N-[6-(propylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113009028
N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113015064
N-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113034331
N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113010320
N-[6-(tert-butylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113014760
N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113028301
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113027864
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide
CID 113012101
N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113033361

Frequently Asked Questions

What is the IUPAC name of N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide (CID 113023958) is N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide is CCCCNc1ccc(NC(=O)C2CCCCC2)nc1.
What is the InChIKey of N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide?
The InChIKey is VHTPOUCUPMWECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-3-11-17-14-9-10-15(18-12-14)19-16(20)13-7-5-4-6-8-13/h9-10,12-13,17H,2-8,11H2,1H3,(H,18,19,20).
What are the key properties of N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide?
N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide has a molecular weight of 275.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 113023958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).