5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile

C11H9N3O — CID 115692616

IUPAC5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNc2cccnc2)o1
InChIInChI=1S/C11H9N3O/c12-6-10-3-4-11(15-10)8-14-9-2-1-5-13-7-9/h1-5,7,14H,8H2
InChIKeySXJBFUDIXRTQGT-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.16
Rot. Bonds3

About 5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile

5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile (PubChem CID 115692616) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile
PubChem CID115692616
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNc2cccnc2)o1
InChIInChI=1S/C11H9N3O/c12-6-10-3-4-11(15-10)8-14-9-2-1-5-13-7-9/h1-5,7,14H,8H2
InChIKeySXJBFUDIXRTQGT-UHFFFAOYSA-N
XLogP2.16
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorofuran-2-yl)methyl]pyridin-3-amine
CID 60769761
N-[(5-ethylfuran-2-yl)methyl]pyridin-3-amine
CID 62347373
5-[[(4-methyl-3-pyridinyl)amino]methyl]furan-2-carbonitrile
CID 115748737
5-[(4-bromoanilino)methyl]furan-2-carbonitrile
CID 115909240
N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide
CID 115652476
5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile
CID 115743993
5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile
CID 115743586
5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile
CID 115748697
2-(pyridin-3-ylamino)acetonitrile
CID 24972763
5-[(pyridin-3-ylamino)methyl]thiophene-3-carbonitrile
CID 79606035
5-[(3-chloro-4-hydroxyanilino)methyl]furan-2-carbonitrile
CID 107678453
5-[(4-chloro-3-fluoroanilino)methyl]furan-2-carbonitrile
CID 113481534

Frequently Asked Questions

What is the IUPAC name of 5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile?
The IUPAC name of 5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile (CID 115692616) is 5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile is N#Cc1ccc(CNc2cccnc2)o1.
What is the InChIKey of 5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile?
The InChIKey is SXJBFUDIXRTQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-6-10-3-4-11(15-10)8-14-9-2-1-5-13-7-9/h1-5,7,14H,8H2.
What are the key properties of 5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile?
5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile has a molecular weight of 199.21 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile is sourced from PubChem (CID 115692616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).