5-(hydroxymethyl)-N-[3-[3-[[5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide

C28H26N4O4 — CID 139537090

IUPAC5-(hydroxymethyl)-N-[3-[3-[[5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(CO)cn2)cccc1-c1cccc(NC(=O)c2ccc(CO)cn2)c1C
InChIInChI=1S/C28H26N4O4/c1-17-21(5-3-7-23(17)31-27(35)25-11-9-19(15-33)13-29-25)22-6-4-8-24(18(22)2)32-28(36)26-12-10-20(16-34)14-30-26/h3-14,33-34H,15-16H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyTWGXPLOQFLXFIL-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.25
Rot. Bonds7

About 5-(hydroxymethyl)-N-[3-[3-[[5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide

5-(hydroxymethyl)-N-[3-[3-[[5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide (PubChem CID 139537090) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-[3-[3-[[5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-[3-[3-[[5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
PubChem CID139537090
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC Name5-(hydroxymethyl)-N-[3-[3-[[5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(CO)cn2)cccc1-c1cccc(NC(=O)c2ccc(CO)cn2)c1C
InChIInChI=1S/C28H26N4O4/c1-17-21(5-3-7-23(17)31-27(35)25-11-9-19(15-33)13-29-25)22-6-4-8-24(18(22)2)32-28(36)26-12-10-20(16-34)14-30-26/h3-14,33-34H,15-16H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyTWGXPLOQFLXFIL-UHFFFAOYSA-N
XLogP4.25
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-[3-[3-[[5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?
The IUPAC name of 5-(hydroxymethyl)-N-[3-[3-[[5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide (CID 139537090) is 5-(hydroxymethyl)-N-[3-[3-[[5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-[3-[3-[[5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(hydroxymethyl)-N-[3-[3-[[5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide is Cc1c(NC(=O)c2ccc(CO)cn2)cccc1-c1cccc(NC(=O)c2ccc(CO)cn2)c1C.
What is the InChIKey of 5-(hydroxymethyl)-N-[3-[3-[[5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?
The InChIKey is TWGXPLOQFLXFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-17-21(5-3-7-23(17)31-27(35)25-11-9-19(15-33)13-29-25)22-6-4-8-24(18(22)2)32-28(36)26-12-10-20(16-34)14-30-26/h3-14,33-34H,15-16H2,1-2H3,(H,31,35)(H,32,36).
What are the key properties of 5-(hydroxymethyl)-N-[3-[3-[[5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?
5-(hydroxymethyl)-N-[3-[3-[[5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 4.25, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-[3-[3-[[5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 139537090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).