N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide

C22H24N6O — CID 109160643

IUPACN-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C22H24N6O/c1-2-17-6-3-4-7-19(17)26-21(29)18-8-9-20(25-16-18)27-12-14-28(15-13-27)22-23-10-5-11-24-22/h3-11,16H,2,12-15H2,1H3,(H,26,29)
InChIKeySNDOZSWAIVLSSH-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.01
Rot. Bonds5

About N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide

N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109160643) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109160643
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C22H24N6O/c1-2-17-6-3-4-7-19(17)26-21(29)18-8-9-20(25-16-18)27-12-14-28(15-13-27)22-23-10-5-11-24-22/h3-11,16H,2,12-15H2,1H3,(H,26,29)
InChIKeySNDOZSWAIVLSSH-UHFFFAOYSA-N
XLogP3.01
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160648
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160656
N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124209
N-(2-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469187
N-(2-ethylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108530365
N-(2-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154747
N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159582
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109259767
ethyl 6-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate
CID 33373036
N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109262320
N-(2-ethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62167285
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109155117

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide (CID 109160643) is N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide is CCc1ccccc1NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)nc1.
What is the InChIKey of N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is SNDOZSWAIVLSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-2-17-6-3-4-7-19(17)26-21(29)18-8-9-20(25-16-18)27-12-14-28(15-13-27)22-23-10-5-11-24-22/h3-11,16H,2,12-15H2,1H3,(H,26,29).
What are the key properties of N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109160643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).