N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide

C15H20N4O2 — CID 3108542

IUPACN-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide
SMILESCC(CC(=O)NC1CCCC1)=NNC(=O)c1ccccn1
InChIInChI=1S/C15H20N4O2/c1-11(10-14(20)17-12-6-2-3-7-12)18-19-15(21)13-8-4-5-9-16-13/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,17,20)(H,19,21)
InChIKeyARHLAIFUJPYDGM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.64
Rot. Bonds5

About N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide

N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide (PubChem CID 3108542) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide
PubChem CID3108542
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide
SMILESCC(CC(=O)NC1CCCC1)=NNC(=O)c1ccccn1
InChIInChI=1S/C15H20N4O2/c1-11(10-14(20)17-12-6-2-3-7-12)18-19-15(21)13-8-4-5-9-16-13/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,17,20)(H,19,21)
InChIKeyARHLAIFUJPYDGM-UHFFFAOYSA-N
XLogP1.64
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]-4-iodobenzamide
CID 171981064
N-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 4307620
N-[3-(cyclopentylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 86828824
4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide
CID 6088595
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-[[4-(cyclooctylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 2867599
N-[(E)-[5-(2-acetamidophenyl)-4-oxopentan-2-ylidene]amino]pyridine-2-carboxamide
CID 89394295
N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide
CID 135460521
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
N-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane
CID 142936010
N-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide
CID 2852529
N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide
CID 3489844

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide (CID 3108542) is N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide is CC(CC(=O)NC1CCCC1)=NNC(=O)c1ccccn1.
What is the InChIKey of N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide?
The InChIKey is ARHLAIFUJPYDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(10-14(20)17-12-6-2-3-7-12)18-19-15(21)13-8-4-5-9-16-13/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,17,20)(H,19,21).
What are the key properties of N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide?
N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide is sourced from PubChem (CID 3108542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).