2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide

C29H28N4O2 — CID 117091054

IUPAC2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide
SMILESCN1CCN(c2ccc(-c3cc(C(=O)Nc4ccc(Oc5ccccc5)cc4)ccn3)cc2)CC1
InChIInChI=1S/C29H28N4O2/c1-32-17-19-33(20-18-32)25-11-7-22(8-12-25)28-21-23(15-16-30-28)29(34)31-24-9-13-27(14-10-24)35-26-5-3-2-4-6-26/h2-16,21H,17-20H2,1H3,(H,31,34)
InChIKeyGHUFDWMXNLDGNO-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.55
Rot. Bonds6

About 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide

2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide (PubChem CID 117091054) has the molecular formula C29H28N4O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide
PubChem CID117091054
Molecular FormulaC29H28N4O2
Molecular Weight464.57 g/mol
Exact Mass464.22
IUPAC Name2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide
SMILESCN1CCN(c2ccc(-c3cc(C(=O)Nc4ccc(Oc5ccccc5)cc4)ccn3)cc2)CC1
InChIInChI=1S/C29H28N4O2/c1-32-17-19-33(20-18-32)25-11-7-22(8-12-25)28-21-23(15-16-30-28)29(34)31-24-9-13-27(14-10-24)35-26-5-3-2-4-6-26/h2-16,21H,17-20H2,1H3,(H,31,34)
InChIKeyGHUFDWMXNLDGNO-UHFFFAOYSA-N
XLogP5.55
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 834145
N-(2-hydroxyethyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 117093223
N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide
CID 7582084
phenyl N-[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]carbamate
CID 70654499
4-phenoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922461
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
3-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 952383
1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-(4-phenoxyphenyl)urea
CID 43992993
4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218895
2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 109165951
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide
CID 117085382
2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109088980

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide (CID 117091054) is 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide is CN1CCN(c2ccc(-c3cc(C(=O)Nc4ccc(Oc5ccccc5)cc4)ccn3)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide?
The InChIKey is GHUFDWMXNLDGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2/c1-32-17-19-33(20-18-32)25-11-7-22(8-12-25)28-21-23(15-16-30-28)29(34)31-24-9-13-27(14-10-24)35-26-5-3-2-4-6-26/h2-16,21H,17-20H2,1H3,(H,31,34).
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide?
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 117091054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).