N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide

C23H25N5O2 — CID 117091113

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccnc(N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C23H25N5O2/c29-20-6-4-18(5-7-20)8-11-26-23(30)19-9-12-25-22(17-19)28-15-13-27(14-16-28)21-3-1-2-10-24-21/h1-7,9-10,12,17,29H,8,11,13-16H2,(H,26,30)
InChIKeyUUBXNKLPSSDSGR-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.48
Rot. Bonds6

About N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 117091113) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID117091113
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccnc(N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C23H25N5O2/c29-20-6-4-18(5-7-20)8-11-26-23(30)19-9-12-25-22(17-19)28-15-13-27(14-16-28)21-3-1-2-10-24-21/h1-7,9-10,12,17,29H,8,11,13-16H2,(H,26,30)
InChIKeyUUBXNKLPSSDSGR-UHFFFAOYSA-N
XLogP2.48
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169442
N-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119549443
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 46981532
2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117087020
N-[2-(4-methoxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide
CID 117093321
N-[2-(4-hydroxyphenyl)ethyl]naphthalene-2-carboxamide
CID 6624490
N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174623
N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169913
2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166760
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171642
2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172612
2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 95104964

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide (CID 117091113) is N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide is O=C(NCCc1ccc(O)cc1)c1ccnc(N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is UUBXNKLPSSDSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c29-20-6-4-18(5-7-20)8-11-26-23(30)19-9-12-25-22(17-19)28-15-13-27(14-16-28)21-3-1-2-10-24-21/h1-7,9-10,12,17,29H,8,11,13-16H2,(H,26,30).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 117091113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).