N-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide

C22H23N3O3 — CID 95528034

IUPACN-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide
SMILESCc1ccccc1[C@@]1(O)CCN(c2ccnc(C(=O)NCc3ccco3)c2)C1
InChIInChI=1S/C22H23N3O3/c1-16-5-2-3-7-19(16)22(27)9-11-25(15-22)17-8-10-23-20(13-17)21(26)24-14-18-6-4-12-28-18/h2-8,10,12-13,27H,9,11,14-15H2,1H3,(H,24,26)/t22-/m1/s1
InChIKeyQNWAFURYNLHYNW-JOCHJYFZSA-N
MW377.44 g/mol
LogP3.01
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide

N-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide (PubChem CID 95528034) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide
PubChem CID95528034
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide
SMILESCc1ccccc1[C@@]1(O)CCN(c2ccnc(C(=O)NCc3ccco3)c2)C1
InChIInChI=1S/C22H23N3O3/c1-16-5-2-3-7-19(16)22(27)9-11-25(15-22)17-8-10-23-20(13-17)21(26)24-14-18-6-4-12-28-18/h2-8,10,12-13,27H,9,11,14-15H2,1H3,(H,24,26)/t22-/m1/s1
InChIKeyQNWAFURYNLHYNW-JOCHJYFZSA-N
XLogP3.01
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209310
4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209338
(3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 126435745
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209317
N-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide
CID 56869038
N-(furan-2-ylmethyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109209341
N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109209427
N-(furan-2-ylmethyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082801
N-(furan-2-ylmethyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362707
4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109208557
N-(furan-2-ylmethyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109368133
4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085207

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide (CID 95528034) is N-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide is Cc1ccccc1[C@@]1(O)CCN(c2ccnc(C(=O)NCc3ccco3)c2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
The InChIKey is QNWAFURYNLHYNW-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-5-2-3-7-19(16)22(27)9-11-25(15-22)17-8-10-23-20(13-17)21(26)24-14-18-6-4-12-28-18/h2-8,10,12-13,27H,9,11,14-15H2,1H3,(H,24,26)/t22-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
N-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 95528034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).