benzamide;bis(2,6-bis(hydroxymethyl)pyridine-4-carboxamide)

C23H27N5O7 — CID 175475228

IUPACbenzamide;bis(2,6-bis(hydroxymethyl)pyridine-4-carboxamide)
SMILESNC(=O)c1cc(CO)nc(CO)c1.NC(=O)c1cc(CO)nc(CO)c1.NC(=O)c1ccccc1
InChIInChI=1S/2C8H10N2O3.C7H7NO/c2*9-8(13)5-1-6(3-11)10-7(2-5)4-12;8-7(9)6-4-2-1-3-5-6/h2*1-2,11-12H,3-4H2,(H2,9,13);1-5H,(H2,8,9)
InChIKeyMAPILFXSDSTZQD-UHFFFAOYSA-N
MW485.50 g/mol
LogP-0.88
Rot. Bonds7

About benzamide;bis(2,6-bis(hydroxymethyl)pyridine-4-carboxamide)

benzamide;bis(2,6-bis(hydroxymethyl)pyridine-4-carboxamide) (PubChem CID 175475228) has the molecular formula C23H27N5O7 and a molecular weight of 485.50 g/mol. Its IUPAC name is benzamide;bis(2,6-bis(hydroxymethyl)pyridine-4-carboxamide).

Molecular Properties

Compound Namebenzamide;bis(2,6-bis(hydroxymethyl)pyridine-4-carboxamide)
PubChem CID175475228
Molecular FormulaC23H27N5O7
Molecular Weight485.50 g/mol
Exact Mass485.19
IUPAC Namebenzamide;bis(2,6-bis(hydroxymethyl)pyridine-4-carboxamide)
SMILESNC(=O)c1cc(CO)nc(CO)c1.NC(=O)c1cc(CO)nc(CO)c1.NC(=O)c1ccccc1
InChIInChI=1S/2C8H10N2O3.C7H7NO/c2*9-8(13)5-1-6(3-11)10-7(2-5)4-12;8-7(9)6-4-2-1-3-5-6/h2*1-2,11-12H,3-4H2,(H2,9,13);1-5H,(H2,8,9)
InChIKeyMAPILFXSDSTZQD-UHFFFAOYSA-N
XLogP-0.88
TPSA235.97 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.50
LogP ≤ 5-0.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

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Related Compounds

(3Z,6Z)-3-benzylidene-6-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]piperazine-2,5-dione
CID 156020795
6-(Phenylmethoxycarbamoyl)pyridine-2-carboxylic acid
CID 156154559
2-(4-Formylphenyl)-6-(hydroxymethyl)pyridine
CID 3719149
4,4'-(1,4-Phenylene)bis(pyridine-2,6-dicarboxylic acid)
CID 10431561
N-[(2S)-1-[[6-(hydroxymethyl)-2-pyridinyl]methylamino]-1-oxobutan-2-yl]benzamide
CID 138004993
6-[(4-Fluorophenyl)-hydroxymethyl]pyridine-2-carboxamide
CID 134424150
4-Ethenyl-6-(trifluoromethyl)pyridine-2-carboxylic acid;4-formyl-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 158991650
6-(1,2-Dihydroxyethyl)-4-(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)pyridine-2-carboxamide
CID 174682073
4-(4-(2-(2,6-Dicarboxypyridin-4-yl)vinyl)styryl)pyridine-2,6-dicarboxylic acid
CID 76463500
2-[4-(diethylcarbamoyl)-6-(hydroxymethyl)-2-pyridinyl]-N,N-diethyl-6-(hydroxymethyl)pyridine-4-carboxamide
CID 15163198
4-[(3R)-3-[bis(2-hydroxy-2-pyridin-2-ylethyl)amino]butyl]benzamide
CID 22841281
N-benzyl-6-(hydroxymethyl)pyridine-2-carboxamide
CID 53748378

Frequently Asked Questions

What is the IUPAC name of benzamide;bis(2,6-bis(hydroxymethyl)pyridine-4-carboxamide)?
The IUPAC name of benzamide;bis(2,6-bis(hydroxymethyl)pyridine-4-carboxamide) (CID 175475228) is benzamide;bis(2,6-bis(hydroxymethyl)pyridine-4-carboxamide).
What is the SMILES notation for benzamide;bis(2,6-bis(hydroxymethyl)pyridine-4-carboxamide)?
The canonical SMILES for benzamide;bis(2,6-bis(hydroxymethyl)pyridine-4-carboxamide) is NC(=O)c1cc(CO)nc(CO)c1.NC(=O)c1cc(CO)nc(CO)c1.NC(=O)c1ccccc1.
What is the InChIKey of benzamide;bis(2,6-bis(hydroxymethyl)pyridine-4-carboxamide)?
The InChIKey is MAPILFXSDSTZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10N2O3.C7H7NO/c2*9-8(13)5-1-6(3-11)10-7(2-5)4-12;8-7(9)6-4-2-1-3-5-6/h2*1-2,11-12H,3-4H2,(H2,9,13);1-5H,(H2,8,9).
What are the key properties of benzamide;bis(2,6-bis(hydroxymethyl)pyridine-4-carboxamide)?
benzamide;bis(2,6-bis(hydroxymethyl)pyridine-4-carboxamide) has a molecular weight of 485.50 g/mol, XLogP of -0.88, 7 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;bis(2,6-bis(hydroxymethyl)pyridine-4-carboxamide) is sourced from PubChem (CID 175475228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).