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

C28H30N6O3 — CID 142612607

IUPAC2-cyclopropyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide
SMILESO=C(Nc1cncc(Nc2ccc(-c3ccc(N4CCCC4=O)cc3)cn2)c1)N1CCOC(C2CC2)C1
InChIInChI=1S/C28H30N6O3/c35-27-2-1-11-34(27)24-8-5-19(6-9-24)21-7-10-26(30-15-21)31-22-14-23(17-29-16-22)32-28(36)33-12-13-37-25(18-33)20-3-4-20/h5-10,14-17,20,25H,1-4,11-13,18H2,(H,30,31)(H,32,36)
InChIKeyBNNUFJFMDMBAPZ-UHFFFAOYSA-N
MW498.59 g/mol
LogP4.66
Rot. Bonds6

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

2-cyclopropyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide (PubChem CID 142612607) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is 2-cyclopropyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide
PubChem CID142612607
Molecular FormulaC28H30N6O3
Molecular Weight498.59 g/mol
Exact Mass498.24
IUPAC Name2-cyclopropyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide
SMILESO=C(Nc1cncc(Nc2ccc(-c3ccc(N4CCCC4=O)cc3)cn2)c1)N1CCOC(C2CC2)C1
InChIInChI=1S/C28H30N6O3/c35-27-2-1-11-34(27)24-8-5-19(6-9-24)21-7-10-26(30-15-21)31-22-14-23(17-29-16-22)32-28(36)33-12-13-37-25(18-33)20-3-4-20/h5-10,14-17,20,25H,1-4,11-13,18H2,(H,30,31)(H,32,36)
InChIKeyBNNUFJFMDMBAPZ-UHFFFAOYSA-N
XLogP4.66
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-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-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide
CID 142612293
1-[4-[6-[[5-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 155225814
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
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
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
1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 142612606
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
1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-3-pyridin-3-ylurea
CID 58150071
(2R)-2-ethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide
CID 124625433
4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide
CID 55816776

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide (CID 142612607) is 2-cyclopropyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide is O=C(Nc1cncc(Nc2ccc(-c3ccc(N4CCCC4=O)cc3)cn2)c1)N1CCOC(C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide?
The InChIKey is BNNUFJFMDMBAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3/c35-27-2-1-11-34(27)24-8-5-19(6-9-24)21-7-10-26(30-15-21)31-22-14-23(17-29-16-22)32-28(36)33-12-13-37-25(18-33)20-3-4-20/h5-10,14-17,20,25H,1-4,11-13,18H2,(H,30,31)(H,32,36).
What are the key properties of 2-cyclopropyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide?
2-cyclopropyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide has a molecular weight of 498.59 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 142612607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).