N-[(4R)-1-[1-(cyclopropylmethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide

C29H29F2N3O5 — CID 162437653

IUPACN-[(4R)-1-[1-(cyclopropylmethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide
SMILESCOc1ccc([C@@H]2CN(c3c(C)ccn(CC4CC4)c3=O)C(=O)C2NC(=O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C29H29F2N3O5/c1-17-13-14-33(15-18-3-4-18)28(37)25(17)34-16-23(19-5-9-21(38-2)10-6-19)24(27(34)36)32-26(35)20-7-11-22(12-8-20)39-29(30)31/h5-14,18,23-24,29H,3-4,15-16H2,1-2H3,(H,32,35)/t23-,24?/m0/s1
InChIKeyLPFITPSICVDVTR-UXMRNZNESA-N
MW537.56 g/mol
LogP4.11
Rot. Bonds9

About N-[(4R)-1-[1-(cyclopropylmethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide

N-[(4R)-1-[1-(cyclopropylmethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide (PubChem CID 162437653) has the molecular formula C29H29F2N3O5 and a molecular weight of 537.56 g/mol. Its IUPAC name is N-[(4R)-1-[1-(cyclopropylmethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(4R)-1-[1-(cyclopropylmethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide
PubChem CID162437653
Molecular FormulaC29H29F2N3O5
Molecular Weight537.56 g/mol
Exact Mass537.21
IUPAC NameN-[(4R)-1-[1-(cyclopropylmethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide
SMILESCOc1ccc([C@@H]2CN(c3c(C)ccn(CC4CC4)c3=O)C(=O)C2NC(=O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C29H29F2N3O5/c1-17-13-14-33(15-18-3-4-18)28(37)25(17)34-16-23(19-5-9-21(38-2)10-6-19)24(27(34)36)32-26(35)20-7-11-22(12-8-20)39-29(30)31/h5-14,18,23-24,29H,3-4,15-16H2,1-2H3,(H,32,35)/t23-,24?/m0/s1
InChIKeyLPFITPSICVDVTR-UXMRNZNESA-N
XLogP4.11
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methyl-1-(oxetan-2-ylmethyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide
CID 169319519
N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169319322
4-(difluoromethoxy)-N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide
CID 169319523
4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide
CID 169319112
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169319281
4-chloro-N-[(3S,4R)-1-[1-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide
CID 169491229
N-[(4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide
CID 162437378
N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2-hydroxypropyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide
CID 169319034
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[4-methyl-2-oxo-1-(3,3,3-trifluoro-2-methoxypropyl)-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169319252
4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-2-oxo-3-pyridinyl)-2-oxopyrrolidin-3-yl]benzamide
CID 169318964
N-[(3S,4R)-4-(4-chlorophenyl)-2-oxo-1-[2-oxo-1-(3,3,3-trifluoropropyl)-3-pyridinyl]pyrrolidin-3-yl]-4-(difluoromethoxy)benzamide
CID 169319277
N-[(4R)-4-(4-chlorophenyl)-2-oxo-1-[2-oxo-1-(3,3,3-trifluoropropyl)-3-pyridinyl]pyrrolidin-3-yl]-4-(difluoromethoxy)benzamide
CID 162437757

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-[1-(cyclopropylmethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide?
The IUPAC name of N-[(4R)-1-[1-(cyclopropylmethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide (CID 162437653) is N-[(4R)-1-[1-(cyclopropylmethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[(4R)-1-[1-(cyclopropylmethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-[(4R)-1-[1-(cyclopropylmethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide is COc1ccc([C@@H]2CN(c3c(C)ccn(CC4CC4)c3=O)C(=O)C2NC(=O)c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of N-[(4R)-1-[1-(cyclopropylmethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide?
The InChIKey is LPFITPSICVDVTR-UXMRNZNESA-N. The full InChI is InChI=1S/C29H29F2N3O5/c1-17-13-14-33(15-18-3-4-18)28(37)25(17)34-16-23(19-5-9-21(38-2)10-6-19)24(27(34)36)32-26(35)20-7-11-22(12-8-20)39-29(30)31/h5-14,18,23-24,29H,3-4,15-16H2,1-2H3,(H,32,35)/t23-,24?/m0/s1.
What are the key properties of N-[(4R)-1-[1-(cyclopropylmethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide?
N-[(4R)-1-[1-(cyclopropylmethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide has a molecular weight of 537.56 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-[1-(cyclopropylmethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 162437653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).