N-[3-[(2,6-dimethylpiperidin-4-yl)carbamoylamino]phenyl]furan-3-carboxamide

C19H24N4O3 — CID 167962915

IUPACN-[3-[(2,6-dimethylpiperidin-4-yl)carbamoylamino]phenyl]furan-3-carboxamide
SMILESCC1CC(NC(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CC(C)N1
InChIInChI=1S/C19H24N4O3/c1-12-8-17(9-13(2)20-12)23-19(25)22-16-5-3-4-15(10-16)21-18(24)14-6-7-26-11-14/h3-7,10-13,17,20H,8-9H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyJXNKRUPGFLSEKN-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.18
Rot. Bonds4

About N-[3-[(2,6-dimethylpiperidin-4-yl)carbamoylamino]phenyl]furan-3-carboxamide

N-[3-[(2,6-dimethylpiperidin-4-yl)carbamoylamino]phenyl]furan-3-carboxamide (PubChem CID 167962915) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[3-[(2,6-dimethylpiperidin-4-yl)carbamoylamino]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,6-dimethylpiperidin-4-yl)carbamoylamino]phenyl]furan-3-carboxamide
PubChem CID167962915
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[3-[(2,6-dimethylpiperidin-4-yl)carbamoylamino]phenyl]furan-3-carboxamide
SMILESCC1CC(NC(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CC(C)N1
InChIInChI=1S/C19H24N4O3/c1-12-8-17(9-13(2)20-12)23-19(25)22-16-5-3-4-15(10-16)21-18(24)14-6-7-26-11-14/h3-7,10-13,17,20H,8-9H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyJXNKRUPGFLSEKN-UHFFFAOYSA-N
XLogP3.18
TPSA95.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(furan-3-carbonylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078447
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
N-(3-aminophenyl)furan-3-carboxamide
CID 16774426
4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673294
N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide
CID 119761839
cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065453
1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea
CID 55696964
N-[3-(diethylamino)phenyl]furan-3-carboxamide
CID 124926206
N-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide
CID 119310902
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]furan-3-carboxamide
CID 51640081
N-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide
CID 27022341
N-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide
CID 60611979

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,6-dimethylpiperidin-4-yl)carbamoylamino]phenyl]furan-3-carboxamide?
The IUPAC name of N-[3-[(2,6-dimethylpiperidin-4-yl)carbamoylamino]phenyl]furan-3-carboxamide (CID 167962915) is N-[3-[(2,6-dimethylpiperidin-4-yl)carbamoylamino]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[(2,6-dimethylpiperidin-4-yl)carbamoylamino]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[(2,6-dimethylpiperidin-4-yl)carbamoylamino]phenyl]furan-3-carboxamide is CC1CC(NC(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CC(C)N1.
What is the InChIKey of N-[3-[(2,6-dimethylpiperidin-4-yl)carbamoylamino]phenyl]furan-3-carboxamide?
The InChIKey is JXNKRUPGFLSEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12-8-17(9-13(2)20-12)23-19(25)22-16-5-3-4-15(10-16)21-18(24)14-6-7-26-11-14/h3-7,10-13,17,20H,8-9H2,1-2H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-[3-[(2,6-dimethylpiperidin-4-yl)carbamoylamino]phenyl]furan-3-carboxamide?
N-[3-[(2,6-dimethylpiperidin-4-yl)carbamoylamino]phenyl]furan-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,6-dimethylpiperidin-4-yl)carbamoylamino]phenyl]furan-3-carboxamide is sourced from PubChem (CID 167962915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).