N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide

C18H24N4O3 — CID 72885838

IUPACN-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
SMILESCc1cccnc1NCCNC(=O)c1coc(CN2CCOCC2)c1
InChIInChI=1S/C18H24N4O3/c1-14-3-2-4-19-17(14)20-5-6-21-18(23)15-11-16(25-13-15)12-22-7-9-24-10-8-22/h2-4,11,13H,5-10,12H2,1H3,(H,19,20)(H,21,23)
InChIKeyMRXDFDDQZLJGIS-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.66
Rot. Bonds7

About N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide

N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide (PubChem CID 72885838) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
PubChem CID72885838
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
SMILESCc1cccnc1NCCNC(=O)c1coc(CN2CCOCC2)c1
InChIInChI=1S/C18H24N4O3/c1-14-3-2-4-19-17(14)20-5-6-21-18(23)15-11-16(25-13-15)12-22-7-9-24-10-8-22/h2-4,11,13H,5-10,12H2,1H3,(H,19,20)(H,21,23)
InChIKeyMRXDFDDQZLJGIS-UHFFFAOYSA-N
XLogP1.66
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 118788788
N-[2-(dimethylsulfamoyl)ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 74245817
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72837823
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 74237864
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72870218
N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 125172950
2-N-(2,6-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083750
N-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 157012475
4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207509
5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]furan-3-carboxamide
CID 97189860
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 97150277
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide (CID 72885838) is N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The canonical SMILES for N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide is Cc1cccnc1NCCNC(=O)c1coc(CN2CCOCC2)c1.
What is the InChIKey of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The InChIKey is MRXDFDDQZLJGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-14-3-2-4-19-17(14)20-5-6-21-18(23)15-11-16(25-13-15)12-22-7-9-24-10-8-22/h2-4,11,13H,5-10,12H2,1H3,(H,19,20)(H,21,23).
What are the key properties of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 72885838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).