2-N,3-dihydroxy-4-(hydroxymethyl)-5-N-[(4-methoxyphenyl)methyl]pyridine-2,5-dicarboxamide

C16H17N3O6 — CID 44541025

IUPAC2-N,3-dihydroxy-4-(hydroxymethyl)-5-N-[(4-methoxyphenyl)methyl]pyridine-2,5-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(C(=O)NO)c(O)c2CO)cc1
InChIInChI=1S/C16H17N3O6/c1-25-10-4-2-9(3-5-10)6-18-15(22)11-7-17-13(16(23)19-24)14(21)12(11)8-20/h2-5,7,20-21,24H,6,8H2,1H3,(H,18,22)(H,19,23)
InChIKeyFFZSWIQSHFCKNH-UHFFFAOYSA-N
MW347.33 g/mol
LogP0.34
Rot. Bonds6

About 2-N,3-dihydroxy-4-(hydroxymethyl)-5-N-[(4-methoxyphenyl)methyl]pyridine-2,5-dicarboxamide

2-N,3-dihydroxy-4-(hydroxymethyl)-5-N-[(4-methoxyphenyl)methyl]pyridine-2,5-dicarboxamide (PubChem CID 44541025) has the molecular formula C16H17N3O6 and a molecular weight of 347.33 g/mol. Its IUPAC name is 2-N,3-dihydroxy-4-(hydroxymethyl)-5-N-[(4-methoxyphenyl)methyl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,3-dihydroxy-4-(hydroxymethyl)-5-N-[(4-methoxyphenyl)methyl]pyridine-2,5-dicarboxamide
PubChem CID44541025
Molecular FormulaC16H17N3O6
Molecular Weight347.33 g/mol
Exact Mass347.11
IUPAC Name2-N,3-dihydroxy-4-(hydroxymethyl)-5-N-[(4-methoxyphenyl)methyl]pyridine-2,5-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(C(=O)NO)c(O)c2CO)cc1
InChIInChI=1S/C16H17N3O6/c1-25-10-4-2-9(3-5-10)6-18-15(22)11-7-17-13(16(23)19-24)14(21)12(11)8-20/h2-5,7,20-21,24H,6,8H2,1H3,(H,18,22)(H,19,23)
InChIKeyFFZSWIQSHFCKNH-UHFFFAOYSA-N
XLogP0.34
TPSA141.01 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 50.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-N-benzyl-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide
CID 44540009
N-[(4-methoxyphenyl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81239365
6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 66462090
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 81320128
N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701358
N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691868
N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465620
N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959741
N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360383

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dihydroxy-4-(hydroxymethyl)-5-N-[(4-methoxyphenyl)methyl]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,3-dihydroxy-4-(hydroxymethyl)-5-N-[(4-methoxyphenyl)methyl]pyridine-2,5-dicarboxamide (CID 44541025) is 2-N,3-dihydroxy-4-(hydroxymethyl)-5-N-[(4-methoxyphenyl)methyl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,3-dihydroxy-4-(hydroxymethyl)-5-N-[(4-methoxyphenyl)methyl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,3-dihydroxy-4-(hydroxymethyl)-5-N-[(4-methoxyphenyl)methyl]pyridine-2,5-dicarboxamide is COc1ccc(CNC(=O)c2cnc(C(=O)NO)c(O)c2CO)cc1.
What is the InChIKey of 2-N,3-dihydroxy-4-(hydroxymethyl)-5-N-[(4-methoxyphenyl)methyl]pyridine-2,5-dicarboxamide?
The InChIKey is FFZSWIQSHFCKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6/c1-25-10-4-2-9(3-5-10)6-18-15(22)11-7-17-13(16(23)19-24)14(21)12(11)8-20/h2-5,7,20-21,24H,6,8H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 2-N,3-dihydroxy-4-(hydroxymethyl)-5-N-[(4-methoxyphenyl)methyl]pyridine-2,5-dicarboxamide?
2-N,3-dihydroxy-4-(hydroxymethyl)-5-N-[(4-methoxyphenyl)methyl]pyridine-2,5-dicarboxamide has a molecular weight of 347.33 g/mol, XLogP of 0.34, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dihydroxy-4-(hydroxymethyl)-5-N-[(4-methoxyphenyl)methyl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 44541025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).