N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide

C19H19N3O3 — CID 39856169

IUPACN-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESN#CC1(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)CCCC1
InChIInChI=1S/C19H19N3O3/c20-13-19(9-1-2-10-19)18(24)21-12-14-5-7-15(8-6-14)22-17(23)16-4-3-11-25-16/h3-8,11H,1-2,9-10,12H2,(H,21,24)(H,22,23)
InChIKeyWOIARQLZAGLDNF-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.23
Rot. Bonds5

About N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 39856169) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide
PubChem CID39856169
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESN#CC1(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)CCCC1
InChIInChI=1S/C19H19N3O3/c20-13-19(9-1-2-10-19)18(24)21-12-14-5-7-15(8-6-14)22-17(23)16-4-3-11-25-16/h3-8,11H,1-2,9-10,12H2,(H,21,24)(H,22,23)
InChIKeyWOIARQLZAGLDNF-UHFFFAOYSA-N
XLogP3.23
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[[1-(aminomethyl)cyclopentanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119700826
N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide
CID 47121122
N-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide
CID 34012584
N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide
CID 42017935
1-cyano-N-[(4-cyanophenyl)methyl]cyclohexane-1-carboxamide
CID 61461994
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24620669
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 111445635
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide (CID 39856169) is N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide is N#CC1(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)CCCC1.
What is the InChIKey of N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is WOIARQLZAGLDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c20-13-19(9-1-2-10-19)18(24)21-12-14-5-7-15(8-6-14)22-17(23)16-4-3-11-25-16/h3-8,11H,1-2,9-10,12H2,(H,21,24)(H,22,23).
What are the key properties of N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 39856169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).