2-anilino-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide

C27H33N5O3 — CID 44586102

IUPAC2-anilino-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide
SMILESCCOc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Nc2ccccc2)CC1
InChIInChI=1S/C27H33N5O3/c1-2-35-25-13-7-6-12-24(25)32-17-15-31(16-18-32)20-22(33)19-29-27(34)23-11-8-14-28-26(23)30-21-9-4-3-5-10-21/h3-14,22,33H,2,15-20H2,1H3,(H,28,30)(H,29,34)
InChIKeyAHRJOHPDAZCGOC-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.14
Rot. Bonds10

About 2-anilino-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide

2-anilino-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide (PubChem CID 44586102) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 2-anilino-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide
PubChem CID44586102
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name2-anilino-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide
SMILESCCOc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Nc2ccccc2)CC1
InChIInChI=1S/C27H33N5O3/c1-2-35-25-13-7-6-12-24(25)32-17-15-31(16-18-32)20-22(33)19-29-27(34)23-11-8-14-28-26(23)30-21-9-4-3-5-10-21/h3-14,22,33H,2,15-20H2,1H3,(H,28,30)(H,29,34)
InChIKeyAHRJOHPDAZCGOC-UHFFFAOYSA-N
XLogP3.14
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide?
The IUPAC name of 2-anilino-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide (CID 44586102) is 2-anilino-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-anilino-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide?
The canonical SMILES for 2-anilino-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide is CCOc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Nc2ccccc2)CC1.
What is the InChIKey of 2-anilino-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide?
The InChIKey is AHRJOHPDAZCGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-2-35-25-13-7-6-12-24(25)32-17-15-31(16-18-32)20-22(33)19-29-27(34)23-11-8-14-28-26(23)30-21-9-4-3-5-10-21/h3-14,22,33H,2,15-20H2,1H3,(H,28,30)(H,29,34).
What are the key properties of 2-anilino-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide?
2-anilino-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 3.14, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide is sourced from PubChem (CID 44586102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).