N-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide

C20H27N5O3 — CID 55747213

IUPACN-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide
SMILESCC1CCN(c2ccc(CNC(=O)NCCNC(=O)c3ccco3)cn2)CC1
InChIInChI=1S/C20H27N5O3/c1-15-6-10-25(11-7-15)18-5-4-16(13-23-18)14-24-20(27)22-9-8-21-19(26)17-3-2-12-28-17/h2-5,12-13,15H,6-11,14H2,1H3,(H,21,26)(H2,22,24,27)
InChIKeyMARGOCUQTRGYBM-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.14
Rot. Bonds7

About N-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide

N-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide (PubChem CID 55747213) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide
PubChem CID55747213
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide
SMILESCC1CCN(c2ccc(CNC(=O)NCCNC(=O)c3ccco3)cn2)CC1
InChIInChI=1S/C20H27N5O3/c1-15-6-10-25(11-7-15)18-5-4-16(13-23-18)14-24-20(27)22-9-8-21-19(26)17-3-2-12-28-17/h2-5,12-13,15H,6-11,14H2,1H3,(H,21,26)(H2,22,24,27)
InChIKeyMARGOCUQTRGYBM-UHFFFAOYSA-N
XLogP2.14
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-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

1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 55739819
N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 55792843
1-(4-hydroxy-2,2-dimethylbutyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 111504532
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
CID 55846067
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99817715
2-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55749921
5-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyridine-2,5-dicarboxamide
CID 86859111
N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 42850252
1-benzyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55750017
2-methyl-1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111257685
1-(furan-2-carbonyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 18139630

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide (CID 55747213) is N-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide is CC1CCN(c2ccc(CNC(=O)NCCNC(=O)c3ccco3)cn2)CC1.
What is the InChIKey of N-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide?
The InChIKey is MARGOCUQTRGYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-15-6-10-25(11-7-15)18-5-4-16(13-23-18)14-24-20(27)22-9-8-21-19(26)17-3-2-12-28-17/h2-5,12-13,15H,6-11,14H2,1H3,(H,21,26)(H2,22,24,27).
What are the key properties of N-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide?
N-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 55747213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).