N-[2-(dipropylamino)-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide

C25H36N4O3 — CID 130372937

IUPACN-[2-(dipropylamino)-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCCCN(CCC)c1ccc(C(=O)NCCCN2CCCC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C25H36N4O3/c1-3-13-29(14-4-2)22-11-10-20(19-21(22)27-25(31)23-9-7-18-32-23)24(30)26-12-8-17-28-15-5-6-16-28/h7,9-11,18-19H,3-6,8,12-17H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyHLCLIJIMJXLHQT-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.37
Rot. Bonds12

About N-[2-(dipropylamino)-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide

N-[2-(dipropylamino)-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 130372937) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[2-(dipropylamino)-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dipropylamino)-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID130372937
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC NameN-[2-(dipropylamino)-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCCCN(CCC)c1ccc(C(=O)NCCCN2CCCC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C25H36N4O3/c1-3-13-29(14-4-2)22-11-10-20(19-21(22)27-25(31)23-9-7-18-32-23)24(30)26-12-8-17-28-15-5-6-16-28/h7,9-11,18-19H,3-6,8,12-17H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyHLCLIJIMJXLHQT-UHFFFAOYSA-N
XLogP4.37
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.37
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

N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide
CID 55742434
N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001
N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18157076
N-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 177047514
N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide
CID 55847878
N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 17475602
N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41130825
4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide
CID 11638289
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 143176255

Frequently Asked Questions

What is the IUPAC name of N-[2-(dipropylamino)-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-(dipropylamino)-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide (CID 130372937) is N-[2-(dipropylamino)-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(dipropylamino)-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(dipropylamino)-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide is CCCN(CCC)c1ccc(C(=O)NCCCN2CCCC2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-(dipropylamino)-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is HLCLIJIMJXLHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-3-13-29(14-4-2)22-11-10-20(19-21(22)27-25(31)23-9-7-18-32-23)24(30)26-12-8-17-28-15-5-6-16-28/h7,9-11,18-19H,3-6,8,12-17H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-[2-(dipropylamino)-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide?
N-[2-(dipropylamino)-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 4.37, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dipropylamino)-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 130372937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).