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

C14H21N3O — CID 113024024

IUPACN-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide
SMILESCCCCNc1ccc(NC(=O)C2CCC2)nc1
InChIInChI=1S/C14H21N3O/c1-2-3-9-15-12-7-8-13(16-10-12)17-14(18)11-5-4-6-11/h7-8,10-11,15H,2-6,9H2,1H3,(H,16,17,18)
InChIKeyXXQGFAPRJDODDQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.03
Rot. Bonds6

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

N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide (PubChem CID 113024024) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide
PubChem CID113024024
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide
SMILESCCCCNc1ccc(NC(=O)C2CCC2)nc1
InChIInChI=1S/C14H21N3O/c1-2-3-9-15-12-7-8-13(16-10-12)17-14(18)11-5-4-6-11/h7-8,10-11,15H,2-6,9H2,1H3,(H,16,17,18)
InChIKeyXXQGFAPRJDODDQ-UHFFFAOYSA-N
XLogP3.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.03
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]cyclohexanecarboxamide
CID 113023958
N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113028301
N-[6-(propylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113009028
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 1452761
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113026538
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]cyclobutanecarboxamide
CID 113010772
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027038
N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113028985
1-[5-(butylamino)-2-pyridinyl]-3-phenylurea
CID 113024016
N-[6-(butylamino)-3-pyridinyl]acetamide
CID 113009439
2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide
CID 39178282
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027369

Frequently Asked Questions

What is the IUPAC name of N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide (CID 113024024) is N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide is CCCCNc1ccc(NC(=O)C2CCC2)nc1.
What is the InChIKey of N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide?
The InChIKey is XXQGFAPRJDODDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-3-9-15-12-7-8-13(16-10-12)17-14(18)11-5-4-6-11/h7-8,10-11,15H,2-6,9H2,1H3,(H,16,17,18).
What are the key properties of N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide?
N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide has a molecular weight of 247.34 g/mol, XLogP of 3.03, 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]cyclobutanecarboxamide is sourced from PubChem (CID 113024024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).