N-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide

C24H20N4O4 — CID 86940328

IUPACN-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(NC(=O)c2ccco2)c1)Nc1cccc(Oc2ccncc2)c1
InChIInChI=1S/C24H20N4O4/c29-23(22-8-3-13-31-22)27-18-5-1-4-17(14-18)16-26-24(30)28-19-6-2-7-21(15-19)32-20-9-11-25-12-10-20/h1-15H,16H2,(H,27,29)(H2,26,28,30)
InChIKeyFCXRKHWTTSYUFM-UHFFFAOYSA-N
MW428.45 g/mol
LogP5.04
Rot. Bonds7

About N-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide

N-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide (PubChem CID 86940328) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
PubChem CID86940328
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC NameN-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(NC(=O)c2ccco2)c1)Nc1cccc(Oc2ccncc2)c1
InChIInChI=1S/C24H20N4O4/c29-23(22-8-3-13-31-22)27-18-5-1-4-17(14-18)16-26-24(30)28-19-6-2-7-21(15-19)32-20-9-11-25-12-10-20/h1-15H,16H2,(H,27,29)(H2,26,28,30)
InChIKeyFCXRKHWTTSYUFM-UHFFFAOYSA-N
XLogP5.04
TPSA105.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 87010587
N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 78871658
N-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 38205484
N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 100700674
1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 10020988
N-[3-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide
CID 133351732
N-[3-(2-pyridin-3-ylethoxy)phenyl]furan-2-carboxamide
CID 75457531
1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 118293299
N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 39228978
1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea
CID 10045778
N-[3-[(3-ethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55844290
N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55868511

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide (CID 86940328) is N-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide is O=C(NCc1cccc(NC(=O)c2ccco2)c1)Nc1cccc(Oc2ccncc2)c1.
What is the InChIKey of N-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is FCXRKHWTTSYUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c29-23(22-8-3-13-31-22)27-18-5-1-4-17(14-18)16-26-24(30)28-19-6-2-7-21(15-19)32-20-9-11-25-12-10-20/h1-15H,16H2,(H,27,29)(H2,26,28,30).
What are the key properties of N-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide?
N-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 5.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 86940328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).