N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide

C21H23N3O4 — CID 42779751

IUPACN-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)NCc2ccncc2)Cc2ccco2)c(C)o1
InChIInChI=1S/C21H23N3O4/c1-15-12-19(16(2)28-15)21(26)24(14-18-4-3-11-27-18)10-7-20(25)23-13-17-5-8-22-9-6-17/h3-6,8-9,11-12H,7,10,13-14H2,1-2H3,(H,23,25)
InChIKeyRARHSGMCEYFURV-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.23
Rot. Bonds8

About N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide

N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide (PubChem CID 42779751) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide
PubChem CID42779751
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)NCc2ccncc2)Cc2ccco2)c(C)o1
InChIInChI=1S/C21H23N3O4/c1-15-12-19(16(2)28-15)21(26)24(14-18-4-3-11-27-18)10-7-20(25)23-13-17-5-8-22-9-6-17/h3-6,8-9,11-12H,7,10,13-14H2,1-2H3,(H,23,25)
InChIKeyRARHSGMCEYFURV-UHFFFAOYSA-N
XLogP3.23
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
CID 5071057
N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 1030454
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide
CID 4115745
N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 42779701
N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 5075714
N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide
CID 3488560
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide
CID 4534902
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 1030449
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 1030452
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
CID 4181128
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
CID 4148902
N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 1030450

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide (CID 42779751) is N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide is Cc1cc(C(=O)N(CCC(=O)NCc2ccncc2)Cc2ccco2)c(C)o1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide?
The InChIKey is RARHSGMCEYFURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-15-12-19(16(2)28-15)21(26)24(14-18-4-3-11-27-18)10-7-20(25)23-13-17-5-8-22-9-6-17/h3-6,8-9,11-12H,7,10,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide?
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide is sourced from PubChem (CID 42779751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).