N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[6-(hydroxymethyl)-3-pyridinyl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide

C28H34N4O4 — CID 70872520

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[6-(hydroxymethyl)-3-pyridinyl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccc(CO)nc3)cc(N(C)C3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C28H34N4O4/c1-17-11-18(2)31-28(35)25(17)15-30-27(34)24-12-21(20-5-6-22(16-33)29-14-20)13-26(19(24)3)32(4)23-7-9-36-10-8-23/h5-6,11-14,23,33H,7-10,15-16H2,1-4H3,(H,30,34)(H,31,35)
InChIKeyBCYLZDNYCPIELL-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.40
Rot. Bonds7

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[6-(hydroxymethyl)-3-pyridinyl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[6-(hydroxymethyl)-3-pyridinyl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide (PubChem CID 70872520) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[6-(hydroxymethyl)-3-pyridinyl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[6-(hydroxymethyl)-3-pyridinyl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide
PubChem CID70872520
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[6-(hydroxymethyl)-3-pyridinyl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccc(CO)nc3)cc(N(C)C3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C28H34N4O4/c1-17-11-18(2)31-28(35)25(17)15-30-27(34)24-12-21(20-5-6-22(16-33)29-14-20)13-26(19(24)3)32(4)23-7-9-36-10-8-23/h5-6,11-14,23,33H,7-10,15-16H2,1-4H3,(H,30,34)(H,31,35)
InChIKeyBCYLZDNYCPIELL-UHFFFAOYSA-N
XLogP3.40
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[6-(hydroxymethyl)-3-pyridinyl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[6-(hydroxymethyl)-3-pyridinyl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide (CID 70872520) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[6-(hydroxymethyl)-3-pyridinyl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[6-(hydroxymethyl)-3-pyridinyl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[6-(hydroxymethyl)-3-pyridinyl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide is Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CO)nc3)cc(N(C)C3CCOCC3)c2C)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[6-(hydroxymethyl)-3-pyridinyl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide?
The InChIKey is BCYLZDNYCPIELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-17-11-18(2)31-28(35)25(17)15-30-27(34)24-12-21(20-5-6-22(16-33)29-14-20)13-26(19(24)3)32(4)23-7-9-36-10-8-23/h5-6,11-14,23,33H,7-10,15-16H2,1-4H3,(H,30,34)(H,31,35).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[6-(hydroxymethyl)-3-pyridinyl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[6-(hydroxymethyl)-3-pyridinyl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide has a molecular weight of 490.60 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[6-(hydroxymethyl)-3-pyridinyl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide is sourced from PubChem (CID 70872520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).