N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[[1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]amino]ethyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide

C24H25N7O5 — CID 137426375

IUPACN-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[[1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]amino]ethyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
SMILESCc1nc(-c2ccc(C#N)cc2NC(=O)C(C)(C)C)cc(=O)n1CC(=O)NC1(c2noc(=O)[nH]2)CC1
InChIInChI=1S/C24H25N7O5/c1-13-26-17(15-6-5-14(11-25)9-16(15)27-21(34)23(2,3)4)10-19(33)31(13)12-18(32)29-24(7-8-24)20-28-22(35)36-30-20/h5-6,9-10H,7-8,12H2,1-4H3,(H,27,34)(H,29,32)(H,28,30,35)
InChIKeyLUHHBKCXJRXFRL-UHFFFAOYSA-N
MW491.51 g/mol
LogP1.56
Rot. Bonds6

About N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[[1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]amino]ethyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide

N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[[1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]amino]ethyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 137426375) has the molecular formula C24H25N7O5 and a molecular weight of 491.51 g/mol. Its IUPAC name is N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[[1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]amino]ethyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[[1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]amino]ethyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID137426375
Molecular FormulaC24H25N7O5
Molecular Weight491.51 g/mol
Exact Mass491.19
IUPAC NameN-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[[1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]amino]ethyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
SMILESCc1nc(-c2ccc(C#N)cc2NC(=O)C(C)(C)C)cc(=O)n1CC(=O)NC1(c2noc(=O)[nH]2)CC1
InChIInChI=1S/C24H25N7O5/c1-13-26-17(15-6-5-14(11-25)9-16(15)27-21(34)23(2,3)4)10-19(33)31(13)12-18(32)29-24(7-8-24)20-28-22(35)36-30-20/h5-6,9-10H,7-8,12H2,1-4H3,(H,27,34)(H,29,32)(H,28,30,35)
InChIKeyLUHHBKCXJRXFRL-UHFFFAOYSA-N
XLogP1.56
TPSA175.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.51
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[[1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]amino]ethyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide 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

N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide
CID 137426280
N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[(3-oxo-1,2-oxazol-5-yl)methylamino]ethyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide
CID 137426278
N-[5-cyano-2-[2-methyl-1-[2-(oxetan-3-ylamino)-2-oxoethyl]-6-oxopyrimidin-4-yl]phenyl]cyclopropanecarboxamide
CID 137426265
methyl N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[(5-oxopyrrolidin-3-yl)methylamino]ethyl]pyrimidin-4-yl]phenyl]carbamate
CID 137426191
N-[5-chloro-2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
CID 129198172
N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 63768495
4-[2-[4-[2-(cyclopropanecarbonylamino)-4-ethynylphenyl]-2-methyl-6-oxopyrimidin-1-yl]acetyl]piperazine-1-carboxamide
CID 145024992
methyl N-[5-chloro-2-[1-[2-[[1-(N'-hydroxycarbamimidoyl)cyclopropyl]amino]-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]carbamate
CID 160875298
3-[[4-[4-amino-2-(2,2-dimethylpropanoylamino)phenyl]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzoic acid
CID 145024655
N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide
CID 78965394
N-[5-chloro-2-[1-[4-[3-(hydroxymethyl)oxetan-3-yl]-2-oxobutyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]cyclopropanecarboxamide
CID 158716035
N-(3-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide
CID 39158170

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[[1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]amino]ethyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[[1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]amino]ethyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide (CID 137426375) is N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[[1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]amino]ethyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[[1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]amino]ethyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[[1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]amino]ethyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide is Cc1nc(-c2ccc(C#N)cc2NC(=O)C(C)(C)C)cc(=O)n1CC(=O)NC1(c2noc(=O)[nH]2)CC1.
What is the InChIKey of N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[[1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]amino]ethyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is LUHHBKCXJRXFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O5/c1-13-26-17(15-6-5-14(11-25)9-16(15)27-21(34)23(2,3)4)10-19(33)31(13)12-18(32)29-24(7-8-24)20-28-22(35)36-30-20/h5-6,9-10H,7-8,12H2,1-4H3,(H,27,34)(H,29,32)(H,28,30,35).
What are the key properties of N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[[1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]amino]ethyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide?
N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[[1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]amino]ethyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 491.51 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[[1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]amino]ethyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 137426375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).