N-methyl-5-[4-[(2S)-pyrrolidin-2-yl]phenyl]furan-2-carboxamide

C16H18N2O2 — CID 97444733

IUPACN-methyl-5-[4-[(2S)-pyrrolidin-2-yl]phenyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc([C@@H]3CCCN3)cc2)o1
InChIInChI=1S/C16H18N2O2/c1-17-16(19)15-9-8-14(20-15)12-6-4-11(5-7-12)13-3-2-10-18-13/h4-9,13,18H,2-3,10H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyQGGKKPIPDCLZDI-ZDUSSCGKSA-N
MW270.33 g/mol
LogP2.73
Rot. Bonds3

About N-methyl-5-[4-[(2S)-pyrrolidin-2-yl]phenyl]furan-2-carboxamide

N-methyl-5-[4-[(2S)-pyrrolidin-2-yl]phenyl]furan-2-carboxamide (PubChem CID 97444733) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-methyl-5-[4-[(2S)-pyrrolidin-2-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-[(2S)-pyrrolidin-2-yl]phenyl]furan-2-carboxamide
PubChem CID97444733
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-methyl-5-[4-[(2S)-pyrrolidin-2-yl]phenyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc([C@@H]3CCCN3)cc2)o1
InChIInChI=1S/C16H18N2O2/c1-17-16(19)15-9-8-14(20-15)12-6-4-11(5-7-12)13-3-2-10-18-13/h4-9,13,18H,2-3,10H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyQGGKKPIPDCLZDI-ZDUSSCGKSA-N
XLogP2.73
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-pyrrolidin-2-ylphenyl)acetate
CID 70987357
methyl 2-[4-[(2R)-pyrrolidin-2-yl]phenyl]acetate
CID 66518883
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 76807256
5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide
CID 119388707
N-methyl-6-[(2R)-pyrrolidin-2-yl]pyridine-2-carboxamide
CID 95804724
(2R)-2-(4-benzylphenyl)pyrrolidine
CID 66519680
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 70026205
N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 74960677
5-(4-fluorophenyl)-N-(2-methylcyclohexyl)furan-2-carboxamide
CID 24502726
5-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]furan-2-carboxamide
CID 9084334

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[(2S)-pyrrolidin-2-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-methyl-5-[4-[(2S)-pyrrolidin-2-yl]phenyl]furan-2-carboxamide (CID 97444733) is N-methyl-5-[4-[(2S)-pyrrolidin-2-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-5-[4-[(2S)-pyrrolidin-2-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-5-[4-[(2S)-pyrrolidin-2-yl]phenyl]furan-2-carboxamide is CNC(=O)c1ccc(-c2ccc([C@@H]3CCCN3)cc2)o1.
What is the InChIKey of N-methyl-5-[4-[(2S)-pyrrolidin-2-yl]phenyl]furan-2-carboxamide?
The InChIKey is QGGKKPIPDCLZDI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-17-16(19)15-9-8-14(20-15)12-6-4-11(5-7-12)13-3-2-10-18-13/h4-9,13,18H,2-3,10H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of N-methyl-5-[4-[(2S)-pyrrolidin-2-yl]phenyl]furan-2-carboxamide?
N-methyl-5-[4-[(2S)-pyrrolidin-2-yl]phenyl]furan-2-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-[(2S)-pyrrolidin-2-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 97444733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).