2-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide

C26H28N6O3 — CID 142612293

IUPAC2-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cncc(Nc3ccc(-c4ccc(N5CCCC5=O)cc4)cn3)c2)CCO1
InChIInChI=1S/C26H28N6O3/c1-18-17-31(11-12-35-18)26(34)30-22-13-21(15-27-16-22)29-24-9-6-20(14-28-24)19-4-7-23(8-5-19)32-10-2-3-25(32)33/h4-9,13-16,18H,2-3,10-12,17H2,1H3,(H,28,29)(H,30,34)
InChIKeyAOLQXTPWOYYBJY-UHFFFAOYSA-N
MW472.55 g/mol
LogP4.27
Rot. Bonds5

About 2-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide

2-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide (PubChem CID 142612293) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide
PubChem CID142612293
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name2-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cncc(Nc3ccc(-c4ccc(N5CCCC5=O)cc4)cn3)c2)CCO1
InChIInChI=1S/C26H28N6O3/c1-18-17-31(11-12-35-18)26(34)30-22-13-21(15-27-16-22)29-24-9-6-20(14-28-24)19-4-7-23(8-5-19)32-10-2-3-25(32)33/h4-9,13-16,18H,2-3,10-12,17H2,1H3,(H,28,29)(H,30,34)
InChIKeyAOLQXTPWOYYBJY-UHFFFAOYSA-N
XLogP4.27
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide with MolForge

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Related Compounds

2-cyclopropyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide
CID 142612607
1-[4-[6-[[5-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 155225814
1-(1,3-oxazol-5-ylmethyl)-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-2-one
CID 142612685
tert-butyl N-[3-[3-oxo-3-[[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]propyl]phenyl]carbamate
CID 142612436
1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 142612441
5-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157861
2-amino-N-[4-[[2-oxo-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-1-yl]methyl]phenyl]acetamide
CID 142612445
2-(1-ethylpyrazol-4-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]morpholine-4-carboxamide
CID 119048710
azetidin-1-yl-[4-[6-(pyridin-3-ylamino)-3-pyridinyl]phenyl]methanone;N,N-dimethyl-4-[5-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrazin-2-yl]benzamide
CID 166784753
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-methylmorpholine-4-carboxamide
CID 94165295
1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 142612606
5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 167901294

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of 2-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide (CID 142612293) is 2-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide is CC1CN(C(=O)Nc2cncc(Nc3ccc(-c4ccc(N5CCCC5=O)cc4)cn3)c2)CCO1.
What is the InChIKey of 2-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide?
The InChIKey is AOLQXTPWOYYBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-18-17-31(11-12-35-18)26(34)30-22-13-21(15-27-16-22)29-24-9-6-20(14-28-24)19-4-7-23(8-5-19)32-10-2-3-25(32)33/h4-9,13-16,18H,2-3,10-12,17H2,1H3,(H,28,29)(H,30,34).
What are the key properties of 2-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide?
2-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 142612293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).