(4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide

C23H29N5O4 — CID 86770824

IUPAC(4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@H]2CCC[C@@H](NC(=O)c3cncnc3)CN(C)C(=O)C2)cc1
InChIInChI=1S/C23H29N5O4/c1-28-14-19(27-23(31)18-12-24-15-25-13-18)5-3-4-17(10-21(28)29)22(30)26-11-16-6-8-20(32-2)9-7-16/h6-9,12-13,15,17,19H,3-5,10-11,14H2,1-2H3,(H,26,30)(H,27,31)/t17-,19-/m1/s1
InChIKeyQSYREVZUYYRZAM-IEBWSBKVSA-N
MW439.52 g/mol
LogP1.55
Rot. Bonds6

About (4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide

(4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide (PubChem CID 86770824) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is (4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide
PubChem CID86770824
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC Name(4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@H]2CCC[C@@H](NC(=O)c3cncnc3)CN(C)C(=O)C2)cc1
InChIInChI=1S/C23H29N5O4/c1-28-14-19(27-23(31)18-12-24-15-25-13-18)5-3-4-17(10-21(28)29)22(30)26-11-16-6-8-20(32-2)9-7-16/h6-9,12-13,15,17,19H,3-5,10-11,14H2,1-2H3,(H,26,30)(H,27,31)/t17-,19-/m1/s1
InChIKeyQSYREVZUYYRZAM-IEBWSBKVSA-N
XLogP1.55
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide 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-[(3R,7R)-7-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-9-oxoazonan-3-yl]-1,2-oxazole-5-carboxamide
CID 75411707
(4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide
CID 75411890
N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide
CID 162798634
(4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide
CID 86770821
(4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide
CID 75411749
(4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
CID 75411880
1-cyclobutyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 110687475
8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide
CID 162798594
8-[(4-cyanobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide
CID 162798595
8-(1,3-benzodioxole-5-carbonylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide
CID 162809554
8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
CID 162869586
8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
CID 162798658

Frequently Asked Questions

What is the IUPAC name of (4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide?
The IUPAC name of (4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide (CID 86770824) is (4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide?
The canonical SMILES for (4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide is COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](NC(=O)c3cncnc3)CN(C)C(=O)C2)cc1.
What is the InChIKey of (4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide?
The InChIKey is QSYREVZUYYRZAM-IEBWSBKVSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-28-14-19(27-23(31)18-12-24-15-25-13-18)5-3-4-17(10-21(28)29)22(30)26-11-16-6-8-20(32-2)9-7-16/h6-9,12-13,15,17,19H,3-5,10-11,14H2,1-2H3,(H,26,30)(H,27,31)/t17-,19-/m1/s1.
What are the key properties of (4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide?
(4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide is sourced from PubChem (CID 86770824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).