N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-pyridin-2-ylpiperazine-1-carboxamide

C21H28N6O2 — CID 126447706

IUPACN-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(NC[C@@H](c1cccnc1)N1CCOCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H28N6O2/c28-21(27-10-8-26(9-11-27)20-5-1-2-7-23-20)24-17-19(18-4-3-6-22-16-18)25-12-14-29-15-13-25/h1-7,16,19H,8-15,17H2,(H,24,28)/t19-/m0/s1
InChIKeyWBZNSWRZFJCEBM-IBGZPJMESA-N
MW396.50 g/mol
LogP1.38
Rot. Bonds5

About N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 126447706) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID126447706
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC NameN-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(NC[C@@H](c1cccnc1)N1CCOCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H28N6O2/c28-21(27-10-8-26(9-11-27)20-5-1-2-7-23-20)24-17-19(18-4-3-6-22-16-18)25-12-14-29-15-13-25/h1-7,16,19H,8-15,17H2,(H,24,28)/t19-/m0/s1
InChIKeyWBZNSWRZFJCEBM-IBGZPJMESA-N
XLogP1.38
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-pyridin-2-ylpiperazine-1-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

2-morpholin-4-yl-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 72928474
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 92680787
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 119065350
N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide
CID 28983026
N-(2-morpholin-4-ylethyl)-N'-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 27564085
(2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 107838022
N'-(4-fluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]oxamide
CID 92680930
N'-[(2R)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 27564120
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221324

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 126447706) is N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(NC[C@@H](c1cccnc1)N1CCOCC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is WBZNSWRZFJCEBM-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N6O2/c28-21(27-10-8-26(9-11-27)20-5-1-2-7-23-20)24-17-19(18-4-3-6-22-16-18)25-12-14-29-15-13-25/h1-7,16,19H,8-15,17H2,(H,24,28)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 126447706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).