6-[[3-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide

C23H29N5O4 — CID 134604398

IUPAC6-[[3-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide
SMILESCCC[C@@H](CO)NC(=O)c1ccc(OCc2c(-c3ccc(N(C)C)nc3)noc2C)nc1
InChIInChI=1S/C23H29N5O4/c1-5-6-18(13-29)26-23(30)17-8-10-21(25-12-17)31-14-19-15(2)32-27-22(19)16-7-9-20(24-11-16)28(3)4/h7-12,18,29H,5-6,13-14H2,1-4H3,(H,26,30)/t18-/m0/s1
InChIKeyWGDPTKIWQGBNLZ-SFHVURJKSA-N
MW439.52 g/mol
LogP2.98
Rot. Bonds10

About 6-[[3-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide

6-[[3-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide (PubChem CID 134604398) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is 6-[[3-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide
PubChem CID134604398
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC Name6-[[3-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide
SMILESCCC[C@@H](CO)NC(=O)c1ccc(OCc2c(-c3ccc(N(C)C)nc3)noc2C)nc1
InChIInChI=1S/C23H29N5O4/c1-5-6-18(13-29)26-23(30)17-8-10-21(25-12-17)31-14-19-15(2)32-27-22(19)16-7-9-20(24-11-16)28(3)4/h7-12,18,29H,5-6,13-14H2,1-4H3,(H,26,30)/t18-/m0/s1
InChIKeyWGDPTKIWQGBNLZ-SFHVURJKSA-N
XLogP2.98
TPSA113.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[[3-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide (CID 134604398) is 6-[[3-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide is CCC[C@@H](CO)NC(=O)c1ccc(OCc2c(-c3ccc(N(C)C)nc3)noc2C)nc1.
What is the InChIKey of 6-[[3-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide?
The InChIKey is WGDPTKIWQGBNLZ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-5-6-18(13-29)26-23(30)17-8-10-21(25-12-17)31-14-19-15(2)32-27-22(19)16-7-9-20(24-11-16)28(3)4/h7-12,18,29H,5-6,13-14H2,1-4H3,(H,26,30)/t18-/m0/s1.
What are the key properties of 6-[[3-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide?
6-[[3-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 2.98, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134604398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).