(3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide

C21H23N3O3 — CID 94010269

IUPAC(3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(CC4CC4)C3)cn2)cc1
InChIInChI=1S/C21H23N3O3/c1-14-2-7-18(8-3-14)27-19-9-6-17(11-22-19)23-21(26)16-10-20(25)24(13-16)12-15-4-5-15/h2-3,6-9,11,15-16H,4-5,10,12-13H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyBYABKHKNITXBDW-INIZCTEOSA-N
MW365.43 g/mol
LogP3.38
Rot. Bonds6

About (3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 94010269) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID94010269
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(CC4CC4)C3)cn2)cc1
InChIInChI=1S/C21H23N3O3/c1-14-2-7-18(8-3-14)27-19-9-6-17(11-22-19)23-21(26)16-10-20(25)24(13-16)12-15-4-5-15/h2-3,6-9,11,15-16H,4-5,10,12-13H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyBYABKHKNITXBDW-INIZCTEOSA-N
XLogP3.38
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(cyclopropylmethyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 51950000
1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 43429828
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
(3S)-1-[(4-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017840
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51064472
N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182716
(3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 97016454
N-(6-methoxy-3-pyridinyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51143040
(3S)-N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7733138
4-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 127348584
4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076375
1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42908533

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide (CID 94010269) is (3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(CC4CC4)C3)cn2)cc1.
What is the InChIKey of (3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BYABKHKNITXBDW-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-2-7-18(8-3-14)27-19-9-6-17(11-22-19)23-21(26)16-10-20(25)24(13-16)12-15-4-5-15/h2-3,6-9,11,15-16H,4-5,10,12-13H2,1H3,(H,23,26)/t16-/m0/s1.
What are the key properties of (3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94010269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).