4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide

C18H22N4O4 — CID 126441939

IUPAC4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide
SMILESCOc1cc(OC)nc(-c2ccc(C(=O)NC[C@@]3(O)CCNC3)cc2)n1
InChIInChI=1S/C18H22N4O4/c1-25-14-9-15(26-2)22-16(21-14)12-3-5-13(6-4-12)17(23)20-11-18(24)7-8-19-10-18/h3-6,9,19,24H,7-8,10-11H2,1-2H3,(H,20,23)/t18-/m1/s1
InChIKeyRPTMGLRFRCGROE-GOSISDBHSA-N
MW358.40 g/mol
LogP0.62
Rot. Bonds6

About 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide

4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide (PubChem CID 126441939) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide
PubChem CID126441939
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide
SMILESCOc1cc(OC)nc(-c2ccc(C(=O)NC[C@@]3(O)CCNC3)cc2)n1
InChIInChI=1S/C18H22N4O4/c1-25-14-9-15(26-2)22-16(21-14)12-3-5-13(6-4-12)17(23)20-11-18(24)7-8-19-10-18/h3-6,9,19,24H,7-8,10-11H2,1-2H3,(H,20,23)/t18-/m1/s1
InChIKeyRPTMGLRFRCGROE-GOSISDBHSA-N
XLogP0.62
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide 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

4-(4,6-dimethoxypyrimidin-2-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide;formic acid
CID 154905103
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 119059858
ethyl 4-[4-[[(3R)-3-hydroxypyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate
CID 126431731
N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide
CID 126448894
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfonylbenzamide
CID 114760745
4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide
CID 126432956
5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 121499472
5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 154905723
methyl 2-[4-[(3-hydroxypiperidin-3-yl)methylcarbamoyl]phenyl]benzoate
CID 119067850
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-3-morpholin-4-ylbenzamide
CID 56894840
N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide
CID 99942311
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 118765598

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide (CID 126441939) is 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide is COc1cc(OC)nc(-c2ccc(C(=O)NC[C@@]3(O)CCNC3)cc2)n1.
What is the InChIKey of 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide?
The InChIKey is RPTMGLRFRCGROE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-25-14-9-15(26-2)22-16(21-14)12-3-5-13(6-4-12)17(23)20-11-18(24)7-8-19-10-18/h3-6,9,19,24H,7-8,10-11H2,1-2H3,(H,20,23)/t18-/m1/s1.
What are the key properties of 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide?
4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide has a molecular weight of 358.40 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 126441939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).