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

C27H33N5O3 — CID 44586123

IUPACN-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methylanilino)pyridine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Nc2ccccc2C)CC1
InChIInChI=1S/C27H33N5O3/c1-20-8-3-4-10-23(20)30-26-22(9-7-13-28-26)27(34)29-18-21(33)19-31-14-16-32(17-15-31)24-11-5-6-12-25(24)35-2/h3-13,21,33H,14-19H2,1-2H3,(H,28,30)(H,29,34)
InChIKeyFCIWTDAAPAOJQO-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.06
Rot. Bonds9

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

N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methylanilino)pyridine-3-carboxamide (PubChem CID 44586123) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methylanilino)pyridine-3-carboxamide
PubChem CID44586123
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC NameN-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methylanilino)pyridine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Nc2ccccc2C)CC1
InChIInChI=1S/C27H33N5O3/c1-20-8-3-4-10-23(20)30-26-22(9-7-13-28-26)27(34)29-18-21(33)19-31-14-16-32(17-15-31)24-11-5-6-12-25(24)35-2/h3-13,21,33H,14-19H2,1-2H3,(H,28,30)(H,29,34)
InChIKeyFCIWTDAAPAOJQO-UHFFFAOYSA-N
XLogP3.06
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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-(2-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methylanilino)pyridine-3-carboxamide (CID 44586123) is N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methylanilino)pyridine-3-carboxamide is COc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Nc2ccccc2C)CC1.
What is the InChIKey of N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methylanilino)pyridine-3-carboxamide?
The InChIKey is FCIWTDAAPAOJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-20-8-3-4-10-23(20)30-26-22(9-7-13-28-26)27(34)29-18-21(33)19-31-14-16-32(17-15-31)24-11-5-6-12-25(24)35-2/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-(2-methylanilino)pyridine-3-carboxamide?
N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methylanilino)pyridine-3-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 3.06, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 44586123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).