2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-[2-(3-hydroxypyrazolidin-4-yl)ethyl]pyrimidine-5-carboxamide

C23H32N6O4 — CID 138403894

IUPAC2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-[2-(3-hydroxypyrazolidin-4-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)NCCC3CNNC3O)cn2)C1
InChIInChI=1S/C23H32N6O4/c1-2-32-19-7-3-4-8-20(19)33-18-6-5-11-29(15-18)23-25-12-17(13-26-23)21(30)24-10-9-16-14-27-28-22(16)31/h3-4,7-8,12-13,16,18,22,27-28,31H,2,5-6,9-11,14-15H2,1H3,(H,24,30)/t16?,18-,22?/m1/s1
InChIKeyYYPDRKCBEBYWTP-ASNBIDDJSA-N
MW456.55 g/mol
LogP1.09
Rot. Bonds9

About 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-[2-(3-hydroxypyrazolidin-4-yl)ethyl]pyrimidine-5-carboxamide

2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-[2-(3-hydroxypyrazolidin-4-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 138403894) has the molecular formula C23H32N6O4 and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-[2-(3-hydroxypyrazolidin-4-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-[2-(3-hydroxypyrazolidin-4-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID138403894
Molecular FormulaC23H32N6O4
Molecular Weight456.55 g/mol
Exact Mass456.25
IUPAC Name2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-[2-(3-hydroxypyrazolidin-4-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)NCCC3CNNC3O)cn2)C1
InChIInChI=1S/C23H32N6O4/c1-2-32-19-7-3-4-8-20(19)33-18-6-5-11-29(15-18)23-25-12-17(13-26-23)21(30)24-10-9-16-14-27-28-22(16)31/h3-4,7-8,12-13,16,18,22,27-28,31H,2,5-6,9-11,14-15H2,1H3,(H,24,30)/t16?,18-,22?/m1/s1
InChIKeyYYPDRKCBEBYWTP-ASNBIDDJSA-N
XLogP1.09
TPSA120.87 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-[2-(3-hydroxypyrazolidin-4-yl)ethyl]pyrimidine-5-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

4-[[[2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrimidine-5-carbonyl]amino]methyl]benzoic acid
CID 118366214
2-[2-[[[2-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrimidine-5-carbonyl]amino]methyl]phenyl]acetic acid
CID 118366237
2-[3-(2-ethoxyphenoxy)piperidin-1-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]pyrimidine-5-carboxamide
CID 136970197
2-[4-[[[2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrimidine-5-carbonyl]amino]methyl]phenyl]propanoic acid
CID 118366228
2-[[2-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrimidine-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 118366256
3-[[[2-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrimidine-5-carbonyl]amino]methyl]-4-fluorobenzoic acid
CID 118366220
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrimidine-5-carboxamide
CID 166709056
N-[(4-bromo-2-methylphenyl)methyl]-2-[(3R)-3-(2-methoxyphenoxy)piperidin-1-yl]pyrimidine-5-carboxamide
CID 156827869
N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide
CID 156541623
2-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]carbamoyl]benzoic acid
CID 156541338
1-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 175808002
4-[2-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-2-oxoethyl]benzoic acid
CID 156541501

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-[2-(3-hydroxypyrazolidin-4-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-[2-(3-hydroxypyrazolidin-4-yl)ethyl]pyrimidine-5-carboxamide (CID 138403894) is 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-[2-(3-hydroxypyrazolidin-4-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-[2-(3-hydroxypyrazolidin-4-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-[2-(3-hydroxypyrazolidin-4-yl)ethyl]pyrimidine-5-carboxamide is CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)NCCC3CNNC3O)cn2)C1.
What is the InChIKey of 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-[2-(3-hydroxypyrazolidin-4-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is YYPDRKCBEBYWTP-ASNBIDDJSA-N. The full InChI is InChI=1S/C23H32N6O4/c1-2-32-19-7-3-4-8-20(19)33-18-6-5-11-29(15-18)23-25-12-17(13-26-23)21(30)24-10-9-16-14-27-28-22(16)31/h3-4,7-8,12-13,16,18,22,27-28,31H,2,5-6,9-11,14-15H2,1H3,(H,24,30)/t16?,18-,22?/m1/s1.
What are the key properties of 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-[2-(3-hydroxypyrazolidin-4-yl)ethyl]pyrimidine-5-carboxamide?
2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-[2-(3-hydroxypyrazolidin-4-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 1.09, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-[2-(3-hydroxypyrazolidin-4-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 138403894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).