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

C26H31N5O3 — CID 44586101

IUPAC2-anilino-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Nc2ccccc2)CC1
InChIInChI=1S/C26H31N5O3/c1-34-24-12-6-5-11-23(24)31-16-14-30(15-17-31)19-21(32)18-28-26(33)22-10-7-13-27-25(22)29-20-8-3-2-4-9-20/h2-13,21,32H,14-19H2,1H3,(H,27,29)(H,28,33)
InChIKeyKFBRHEUTIIRECM-UHFFFAOYSA-N
MW461.57 g/mol
LogP2.75
Rot. Bonds9

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

2-anilino-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide (PubChem CID 44586101) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-anilino-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide
PubChem CID44586101
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name2-anilino-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Nc2ccccc2)CC1
InChIInChI=1S/C26H31N5O3/c1-34-24-12-6-5-11-23(24)31-16-14-30(15-17-31)19-21(32)18-28-26(33)22-10-7-13-27-25(22)29-20-8-3-2-4-9-20/h2-13,21,32H,14-19H2,1H3,(H,27,29)(H,28,33)
InChIKeyKFBRHEUTIIRECM-UHFFFAOYSA-N
XLogP2.75
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.75
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-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide?
The IUPAC name of 2-anilino-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide (CID 44586101) is 2-anilino-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-anilino-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-anilino-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide is COc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Nc2ccccc2)CC1.
What is the InChIKey of 2-anilino-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide?
The InChIKey is KFBRHEUTIIRECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-34-24-12-6-5-11-23(24)31-16-14-30(15-17-31)19-21(32)18-28-26(33)22-10-7-13-27-25(22)29-20-8-3-2-4-9-20/h2-13,21,32H,14-19H2,1H3,(H,27,29)(H,28,33).
What are the key properties of 2-anilino-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide?
2-anilino-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 2.75, 9 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-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 44586101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).