2-anilino-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide

C28H35N5O3 — CID 44586150

IUPAC2-anilino-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Nc2ccccc2)CC1
InChIInChI=1S/C28H35N5O3/c1-21(2)36-26-13-7-6-12-25(26)33-17-15-32(16-18-33)20-23(34)19-30-28(35)24-11-8-14-29-27(24)31-22-9-4-3-5-10-22/h3-14,21,23,34H,15-20H2,1-2H3,(H,29,31)(H,30,35)
InChIKeyWEGJNZLVHYKSCD-UHFFFAOYSA-N
MW489.62 g/mol
LogP3.53
Rot. Bonds10

About 2-anilino-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide

2-anilino-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide (PubChem CID 44586150) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 2-anilino-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide
PubChem CID44586150
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC Name2-anilino-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Nc2ccccc2)CC1
InChIInChI=1S/C28H35N5O3/c1-21(2)36-26-13-7-6-12-25(26)33-17-15-32(16-18-33)20-23(34)19-30-28(35)24-11-8-14-29-27(24)31-22-9-4-3-5-10-22/h3-14,21,23,34H,15-20H2,1-2H3,(H,29,31)(H,30,35)
InChIKeyWEGJNZLVHYKSCD-UHFFFAOYSA-N
XLogP3.53
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide?
The IUPAC name of 2-anilino-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide (CID 44586150) is 2-anilino-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-anilino-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-anilino-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide is CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Nc2ccccc2)CC1.
What is the InChIKey of 2-anilino-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide?
The InChIKey is WEGJNZLVHYKSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-21(2)36-26-13-7-6-12-25(26)33-17-15-32(16-18-33)20-23(34)19-30-28(35)24-11-8-14-29-27(24)31-22-9-4-3-5-10-22/h3-14,21,23,34H,15-20H2,1-2H3,(H,29,31)(H,30,35).
What are the key properties of 2-anilino-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide?
2-anilino-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 3.53, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 44586150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).