4-(furan-2-yl)-2-methyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carbonitrile

C16H15N3O2 — CID 134085846

IUPAC4-(furan-2-yl)-2-methyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carbonitrile
SMILESCc1nc(C(=O)N2CCCC2)cc(-c2ccco2)c1C#N
InChIInChI=1S/C16H15N3O2/c1-11-13(10-17)12(15-5-4-8-21-15)9-14(18-11)16(20)19-6-2-3-7-19/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyIBWZSUQWAGBHDE-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.76
Rot. Bonds2

About 4-(furan-2-yl)-2-methyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carbonitrile

4-(furan-2-yl)-2-methyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carbonitrile (PubChem CID 134085846) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-methyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-2-methyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carbonitrile
PubChem CID134085846
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name4-(furan-2-yl)-2-methyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carbonitrile
SMILESCc1nc(C(=O)N2CCCC2)cc(-c2ccco2)c1C#N
InChIInChI=1S/C16H15N3O2/c1-11-13(10-17)12(15-5-4-8-21-15)9-14(18-11)16(20)19-6-2-3-7-19/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyIBWZSUQWAGBHDE-UHFFFAOYSA-N
XLogP2.76
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-4-(furan-2-yl)-6-methylpyridine-2-carboxamide
CID 134085841
5-cyano-N-cyclopropyl-4-(furan-2-yl)-6-methylpyridine-2-carboxamide
CID 134085835
[2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 11173320
azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 35184700
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 167925736
1-benzoyl-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile
CID 164889120
[2-[[5-(furan-2-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42769689
1,4-diazepan-1-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119417177
2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile
CID 3480329
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406001
[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 94285993
[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110854718

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-methyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-2-methyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carbonitrile (CID 134085846) is 4-(furan-2-yl)-2-methyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-2-methyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-2-methyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carbonitrile is Cc1nc(C(=O)N2CCCC2)cc(-c2ccco2)c1C#N.
What is the InChIKey of 4-(furan-2-yl)-2-methyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carbonitrile?
The InChIKey is IBWZSUQWAGBHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-13(10-17)12(15-5-4-8-21-15)9-14(18-11)16(20)19-6-2-3-7-19/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 4-(furan-2-yl)-2-methyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carbonitrile?
4-(furan-2-yl)-2-methyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carbonitrile has a molecular weight of 281.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-methyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carbonitrile is sourced from PubChem (CID 134085846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).