(3R)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide

C21H24N4O3 — CID 139010910

IUPAC(3R)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)N1CC[C@@H](Oc2ccncc2)C1
InChIInChI=1S/C21H24N4O3/c26-20-2-1-12-25(20)17-5-3-16(4-6-17)14-23-21(27)24-13-9-19(15-24)28-18-7-10-22-11-8-18/h3-8,10-11,19H,1-2,9,12-15H2,(H,23,27)/t19-/m1/s1
InChIKeyBQKXKSFAAFAODB-LJQANCHMSA-N
MW380.45 g/mol
LogP2.57
Rot. Bonds5

About (3R)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide

(3R)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide (PubChem CID 139010910) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (3R)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide
PubChem CID139010910
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name(3R)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)N1CC[C@@H](Oc2ccncc2)C1
InChIInChI=1S/C21H24N4O3/c26-20-2-1-12-25(20)17-5-3-16(4-6-17)14-23-21(27)24-13-9-19(15-24)28-18-7-10-22-11-8-18/h3-8,10-11,19H,1-2,9,12-15H2,(H,23,27)/t19-/m1/s1
InChIKeyBQKXKSFAAFAODB-LJQANCHMSA-N
XLogP2.57
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
CID 124568628
2-hydroxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 110013970
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-(cyclohexylmethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide
CID 119070282
(2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide
CID 119694507
2-N-cyclopropyl-1-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 136577311
4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 86879794
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 30691790
2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119749231
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
N'-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109441682
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 166241121

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide (CID 139010910) is (3R)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide is O=C(NCc1ccc(N2CCCC2=O)cc1)N1CC[C@@H](Oc2ccncc2)C1.
What is the InChIKey of (3R)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide?
The InChIKey is BQKXKSFAAFAODB-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-20-2-1-12-25(20)17-5-3-16(4-6-17)14-23-21(27)24-13-9-19(15-24)28-18-7-10-22-11-8-18/h3-8,10-11,19H,1-2,9,12-15H2,(H,23,27)/t19-/m1/s1.
What are the key properties of (3R)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide?
(3R)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 139010910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).