N-butyl-1-[5-(oxolane-2-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide

C20H30N4O3 — CID 50842342

IUPACN-butyl-1-[5-(oxolane-2-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2ccc(NC(=O)C3CCCO3)cn2)CC1
InChIInChI=1S/C20H30N4O3/c1-2-3-10-21-19(25)15-8-11-24(12-9-15)18-7-6-16(14-22-18)23-20(26)17-5-4-13-27-17/h6-7,14-15,17H,2-5,8-13H2,1H3,(H,21,25)(H,23,26)
InChIKeyKJMVJCLKNVPODH-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.33
Rot. Bonds7

About N-butyl-1-[5-(oxolane-2-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide

N-butyl-1-[5-(oxolane-2-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 50842342) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-butyl-1-[5-(oxolane-2-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[5-(oxolane-2-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID50842342
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-butyl-1-[5-(oxolane-2-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2ccc(NC(=O)C3CCCO3)cn2)CC1
InChIInChI=1S/C20H30N4O3/c1-2-3-10-21-19(25)15-8-11-24(12-9-15)18-7-6-16(14-22-18)23-20(26)17-5-4-13-27-17/h6-7,14-15,17H,2-5,8-13H2,1H3,(H,21,25)(H,23,26)
InChIKeyKJMVJCLKNVPODH-UHFFFAOYSA-N
XLogP2.33
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Pyridinyl)-4-(tetrahydro-2-furanylcarbonyl)piperazine
CID 2970509
N-(5-amino-4-(morpholinomethyl)pyridin-2-yl)-2,2-dimethylbutanamide
CID 45487760
Pentanedioic acid cyclohexylcarbamoylmethyl-(tetrahydro-furan-2-ylmethyl)-amide pyridin-2-ylamide
CID 645755
N-Pyridin-2-yl-N'-(tetrahydro-furan-2-ylmethyl)-N'-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-succinamide
CID 651646
N-[(3-Methyl-butylcarbamoyl)-methyl]-N'-pyridin-2-yl-N-(tetrahydro-furan-2-ylmethyl)-succinamide
CID 655765
N-(Benzylcarbamoyl-methyl)-N'-pyridin-2-yl-N-(tetrahydro-furan-2-ylmethyl)-succinamide
CID 3204821
N'-(4-methylphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide
CID 3204885
N-(2-Methoxy-ethyl)-N'-(4-methyl-pyridin-2-yl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-succinamide
CID 3208462
(S)-N-(1-(4-aminopyridin-2-yl)-4-phenylpiperidin-4-yl)tetrahydrofuran-2-carboxamide
CID 44573332
US11370784, Example 66
CID 134418925
N-[(2-Methoxy-ethylcarbamoyl)-methyl]-N'-pyridin-2-yl-N-(tetrahydro-furan-2-ylmethyl)-succinamide
CID 645482
N'-(2-methoxyethyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide
CID 3204891

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[5-(oxolane-2-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[5-(oxolane-2-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide (CID 50842342) is N-butyl-1-[5-(oxolane-2-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[5-(oxolane-2-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[5-(oxolane-2-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN(c2ccc(NC(=O)C3CCCO3)cn2)CC1.
What is the InChIKey of N-butyl-1-[5-(oxolane-2-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is KJMVJCLKNVPODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-2-3-10-21-19(25)15-8-11-24(12-9-15)18-7-6-16(14-22-18)23-20(26)17-5-4-13-27-17/h6-7,14-15,17H,2-5,8-13H2,1H3,(H,21,25)(H,23,26).
What are the key properties of N-butyl-1-[5-(oxolane-2-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide?
N-butyl-1-[5-(oxolane-2-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[5-(oxolane-2-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 50842342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).