N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide

C16H24N4O2 — CID 127165622

IUPACN-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCCCCNC(=O)N1CCC(NC(=O)c2cccnc2)CC1
InChIInChI=1S/C16H24N4O2/c1-2-3-9-18-16(22)20-10-6-14(7-11-20)19-15(21)13-5-4-8-17-12-13/h4-5,8,12,14H,2-3,6-7,9-11H2,1H3,(H,18,22)(H,19,21)
InChIKeyKMPDVPKQUWCKFQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.79
Rot. Bonds5

About N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide

N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 127165622) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID127165622
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCCCCNC(=O)N1CCC(NC(=O)c2cccnc2)CC1
InChIInChI=1S/C16H24N4O2/c1-2-3-9-18-16(22)20-10-6-14(7-11-20)19-15(21)13-5-4-8-17-12-13/h4-5,8,12,14H,2-3,6-7,9-11H2,1H3,(H,18,22)(H,19,21)
InChIKeyKMPDVPKQUWCKFQ-UHFFFAOYSA-N
XLogP1.79
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 127165661
N-[1-(benzylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47836760
N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 60591003
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
N-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 124595352
N-(4-ethylcyclohexyl)pyridine-3-carboxamide
CID 25237064
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548465
N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836779
phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 110821885
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47076419

Frequently Asked Questions

What is the IUPAC name of N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide (CID 127165622) is N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide is CCCCNC(=O)N1CCC(NC(=O)c2cccnc2)CC1.
What is the InChIKey of N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is KMPDVPKQUWCKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-3-9-18-16(22)20-10-6-14(7-11-20)19-15(21)13-5-4-8-17-12-13/h4-5,8,12,14H,2-3,6-7,9-11H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide?
N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 127165622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).