N-(2-adamantylmethyl)-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

C23H30N4O2S — CID 26336790

IUPACN-(2-adamantylmethyl)-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(Cc1cscn1)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1
InChIInChI=1S/C23H30N4O2S/c1-27(11-19-12-30-13-25-19)10-18-2-3-20(23(29)26-18)22(28)24-9-21-16-5-14-4-15(7-16)8-17(21)6-14/h2-3,12-17,21H,4-11H2,1H3,(H,24,28)(H,26,29)
InChIKeyUWVDHCSBMZJBJA-UHFFFAOYSA-N
MW426.59 g/mol
LogP3.27
Rot. Bonds7

About N-(2-adamantylmethyl)-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-(2-adamantylmethyl)-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 26336790) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is N-(2-adamantylmethyl)-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantylmethyl)-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID26336790
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC NameN-(2-adamantylmethyl)-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(Cc1cscn1)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1
InChIInChI=1S/C23H30N4O2S/c1-27(11-19-12-30-13-25-19)10-18-2-3-20(23(29)26-18)22(28)24-9-21-16-5-14-4-15(7-16)8-17(21)6-14/h2-3,12-17,21H,4-11H2,1H3,(H,24,28)(H,26,29)
InChIKeyUWVDHCSBMZJBJA-UHFFFAOYSA-N
XLogP3.27
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylmethyl)-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-adamantylmethyl)-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 26336790) is N-(2-adamantylmethyl)-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-adamantylmethyl)-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-adamantylmethyl)-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is CN(Cc1cscn1)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1.
What is the InChIKey of N-(2-adamantylmethyl)-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UWVDHCSBMZJBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-27(11-19-12-30-13-25-19)10-18-2-3-20(23(29)26-18)22(28)24-9-21-16-5-14-4-15(7-16)8-17(21)6-14/h2-3,12-17,21H,4-11H2,1H3,(H,24,28)(H,26,29).
What are the key properties of N-(2-adamantylmethyl)-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-(2-adamantylmethyl)-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 426.59 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylmethyl)-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 26336790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).