N-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

C25H29N5O2 — CID 46926733

IUPACN-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(N4CCN(CCO)CC4)nc3)cc2)ccn1
InChIInChI=1S/C25H29N5O2/c1-19-16-22(8-9-26-19)21-4-2-20(3-5-21)17-25(32)28-23-6-7-24(27-18-23)30-12-10-29(11-13-30)14-15-31/h2-9,16,18,31H,10-15,17H2,1H3,(H,28,32)
InChIKeyXGNYDSFGZNOMIO-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.75
Rot. Bonds7

About N-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

N-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (PubChem CID 46926733) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
PubChem CID46926733
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(N4CCN(CCO)CC4)nc3)cc2)ccn1
InChIInChI=1S/C25H29N5O2/c1-19-16-22(8-9-26-19)21-4-2-20(3-5-21)17-25(32)28-23-6-7-24(27-18-23)30-12-10-29(11-13-30)14-15-31/h2-9,16,18,31H,10-15,17H2,1H3,(H,28,32)
InChIKeyXGNYDSFGZNOMIO-UHFFFAOYSA-N
XLogP2.75
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide with MolForge

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Related Compounds

Wnt-974
CID 46926973
BPKDi
CID 46901383
Gnf6231
CID 46927297
2''-Phenylamino-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Methyl Amide
CID 46901384
2-Piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide
CID 46901542
US10251893, Cpd 51
CID 46926891
N-[2,3'-Bipyridin]-6'-yl-2',3-dimethyl[2,4'-bipyridine]-5-acetamide
CID 46927131
US10251893, Cpd 126
CID 46927132
US10251893, Cpd 128
CID 46927133
N-(5-(4-Acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3-dimethyl-[2,4'-bipyridin]-5-yl)acetamide
CID 46927217
2'-Fluoro-3-methyl-N-[5-(2-pyrazinyl)-2-pyridinyl][2,4'-bipyridine]-5-acetamide
CID 46927364
2-(4-(2-methylpyridin-4-yl)phenyl)-N-(5-phenylpyridin-2-yl)acetamide
CID 46927726

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The IUPAC name of N-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (CID 46926733) is N-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is Cc1cc(-c2ccc(CC(=O)Nc3ccc(N4CCN(CCO)CC4)nc3)cc2)ccn1.
What is the InChIKey of N-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The InChIKey is XGNYDSFGZNOMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-19-16-22(8-9-26-19)21-4-2-20(3-5-21)17-25(32)28-23-6-7-24(27-18-23)30-12-10-29(11-13-30)14-15-31/h2-9,16,18,31H,10-15,17H2,1H3,(H,28,32).
What are the key properties of N-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
N-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 46926733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).