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

C27H33N5O4 — CID 44586131

IUPACN-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)NCC(O)CN2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C27H33N5O4/c1-35-22-11-9-20(10-12-22)30-26-23(6-5-13-28-26)27(34)29-18-21(33)19-31-14-16-32(17-15-31)24-7-3-4-8-25(24)36-2/h3-13,21,33H,14-19H2,1-2H3,(H,28,30)(H,29,34)
InChIKeyNXQCRWRFDDIBED-UHFFFAOYSA-N
MW491.59 g/mol
LogP2.76
Rot. Bonds10

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

N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyanilino)pyridine-3-carboxamide (PubChem CID 44586131) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyanilino)pyridine-3-carboxamide
PubChem CID44586131
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC NameN-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)NCC(O)CN2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C27H33N5O4/c1-35-22-11-9-20(10-12-22)30-26-23(6-5-13-28-26)27(34)29-18-21(33)19-31-14-16-32(17-15-31)24-7-3-4-8-25(24)36-2/h3-13,21,33H,14-19H2,1-2H3,(H,28,30)(H,29,34)
InChIKeyNXQCRWRFDDIBED-UHFFFAOYSA-N
XLogP2.76
TPSA99.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyanilino)pyridine-3-carboxamide (CID 44586131) is N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyanilino)pyridine-3-carboxamide is COc1ccc(Nc2ncccc2C(=O)NCC(O)CN2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is NXQCRWRFDDIBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-35-22-11-9-20(10-12-22)30-26-23(6-5-13-28-26)27(34)29-18-21(33)19-31-14-16-32(17-15-31)24-7-3-4-8-25(24)36-2/h3-13,21,33H,14-19H2,1-2H3,(H,28,30)(H,29,34).
What are the key properties of N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyanilino)pyridine-3-carboxamide?
N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyanilino)pyridine-3-carboxamide has a molecular weight of 491.59 g/mol, XLogP of 2.76, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 44586131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).