2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide

C26H34N4O5 — CID 3774401

IUPAC2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
SMILESCCCOCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2cc(NC(C)=O)ccc2O)CC1
InChIInChI=1S/C26H34N4O5/c1-4-14-35-15-11-27-25(33)21-7-5-17(2)28-24(21)19-9-12-30(13-10-19)26(34)22-16-20(29-18(3)31)6-8-23(22)32/h5-8,16,19,32H,4,9-15H2,1-3H3,(H,27,33)(H,29,31)
InChIKeyQZZCWILCCNLFIZ-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.23
Rot. Bonds9

About 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide

2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide (PubChem CID 3774401) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
PubChem CID3774401
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC Name2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
SMILESCCCOCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2cc(NC(C)=O)ccc2O)CC1
InChIInChI=1S/C26H34N4O5/c1-4-14-35-15-11-27-25(33)21-7-5-17(2)28-24(21)19-9-12-30(13-10-19)26(34)22-16-20(29-18(3)31)6-8-23(22)32/h5-8,16,19,32H,4,9-15H2,1-3H3,(H,27,33)(H,29,31)
InChIKeyQZZCWILCCNLFIZ-UHFFFAOYSA-N
XLogP3.23
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3701173
N-[(2-ethoxyphenyl)methyl]-2-[1-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 5915464
2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 135505832
2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 136345601
2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 136345620
2-amino-N-(1-ethylpiperidin-4-yl)-6-[5-(2-fluoro-N,3-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
CID 136399964
2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(1-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 136400192
2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 136422561
2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 136422570
2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 136422574
2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide
CID 136422600
2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 136591984

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide (CID 3774401) is 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide is CCCOCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2cc(NC(C)=O)ccc2O)CC1.
What is the InChIKey of 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide?
The InChIKey is QZZCWILCCNLFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-4-14-35-15-11-27-25(33)21-7-5-17(2)28-24(21)19-9-12-30(13-10-19)26(34)22-16-20(29-18(3)31)6-8-23(22)32/h5-8,16,19,32H,4,9-15H2,1-3H3,(H,27,33)(H,29,31).
What are the key properties of 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide?
2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 3.23, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 3774401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).