tert-butyl N-[3-[3-oxo-3-[[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]propyl]phenyl]carbamate

C34H36N6O4 — CID 142612436

IUPACtert-butyl N-[3-[3-oxo-3-[[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]propyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(CCC(=O)Nc2cncc(Nc3ccc(-c4ccc(N5CCCC5=O)cc4)cn3)c2)c1
InChIInChI=1S/C34H36N6O4/c1-34(2,3)44-33(43)39-26-7-4-6-23(18-26)9-16-31(41)38-28-19-27(21-35-22-28)37-30-15-12-25(20-36-30)24-10-13-29(14-11-24)40-17-5-8-32(40)42/h4,6-7,10-15,18-22H,5,8-9,16-17H2,1-3H3,(H,36,37)(H,38,41)(H,39,43)
InChIKeyYJRLKEZWGMPOPW-UHFFFAOYSA-N
MW592.70 g/mol
LogP6.93
Rot. Bonds9

About tert-butyl N-[3-[3-oxo-3-[[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]propyl]phenyl]carbamate

tert-butyl N-[3-[3-oxo-3-[[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]propyl]phenyl]carbamate (PubChem CID 142612436) has the molecular formula C34H36N6O4 and a molecular weight of 592.70 g/mol. Its IUPAC name is tert-butyl N-[3-[3-oxo-3-[[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]propyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[3-oxo-3-[[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]propyl]phenyl]carbamate
PubChem CID142612436
Molecular FormulaC34H36N6O4
Molecular Weight592.70 g/mol
Exact Mass592.28
IUPAC Nametert-butyl N-[3-[3-oxo-3-[[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]propyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(CCC(=O)Nc2cncc(Nc3ccc(-c4ccc(N5CCCC5=O)cc4)cn3)c2)c1
InChIInChI=1S/C34H36N6O4/c1-34(2,3)44-33(43)39-26-7-4-6-23(18-26)9-16-31(41)38-28-19-27(21-35-22-28)37-30-15-12-25(20-36-30)24-10-13-29(14-11-24)40-17-5-8-32(40)42/h4,6-7,10-15,18-22H,5,8-9,16-17H2,1-3H3,(H,36,37)(H,38,41)(H,39,43)
InChIKeyYJRLKEZWGMPOPW-UHFFFAOYSA-N
XLogP6.93
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.70
LogP ≤ 56.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[3-[3-oxo-3-[[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]propyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-(dimethylamino)-N-[3-[3-[[5-[[5,5-dimethyl-8-(2-oxopyrrolidin-1-yl)chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]amino]-3-oxopropyl]phenyl]but-2-enamide
CID 142612081
[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]-3-oxopropyl]phenyl]carbamic acid
CID 155225827
2-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide
CID 142612293
tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate
CID 46556759
4-[6-[[5-[3-[3-[4-(dimethylamino)but-2-enoylamino]phenyl]propanoylamino]-3-pyridinyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide
CID 155225850
tert-butyl N-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]phenyl]carbamate
CID 142612636
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-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
tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate
CID 139689119
4-[6-[[5-[3-[[4-[3-[3-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]propanoylamino]phenyl]methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide
CID 161106654
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[3-oxo-3-[[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]propyl]phenyl]carbamate?
The IUPAC name of 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) is tert-butyl N-[3-[3-oxo-3-[[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]propyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[3-oxo-3-[[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]propyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[3-oxo-3-[[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]propyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(CCC(=O)Nc2cncc(Nc3ccc(-c4ccc(N5CCCC5=O)cc4)cn3)c2)c1.
What is the InChIKey of tert-butyl N-[3-[3-oxo-3-[[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]propyl]phenyl]carbamate?
The InChIKey is YJRLKEZWGMPOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O4/c1-34(2,3)44-33(43)39-26-7-4-6-23(18-26)9-16-31(41)38-28-19-27(21-35-22-28)37-30-15-12-25(20-36-30)24-10-13-29(14-11-24)40-17-5-8-32(40)42/h4,6-7,10-15,18-22H,5,8-9,16-17H2,1-3H3,(H,36,37)(H,38,41)(H,39,43).
What are the key properties of tert-butyl N-[3-[3-oxo-3-[[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]propyl]phenyl]carbamate?
tert-butyl N-[3-[3-oxo-3-[[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]propyl]phenyl]carbamate has a molecular weight of 592.70 g/mol, XLogP of 6.93, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[3-oxo-3-[[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]propyl]phenyl]carbamate is sourced from PubChem (CID 142612436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).