N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4,5-dimethylpyridine-3-carboxamide

C22H21N5O2S — CID 70978214

IUPACN-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4,5-dimethylpyridine-3-carboxamide
SMILESCCc1sc(-c2cc(C)on2)nc1-c1ccc(NC(=O)c2cncc(C)c2C)nc1
InChIInChI=1S/C22H21N5O2S/c1-5-18-20(26-22(30-18)17-8-13(3)29-27-17)15-6-7-19(24-10-15)25-21(28)16-11-23-9-12(2)14(16)4/h6-11H,5H2,1-4H3,(H,24,25,28)
InChIKeyUAUJZSNVAMWPTD-UHFFFAOYSA-N
MW419.51 g/mol
LogP5.00
Rot. Bonds5

About N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4,5-dimethylpyridine-3-carboxamide

N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4,5-dimethylpyridine-3-carboxamide (PubChem CID 70978214) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4,5-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4,5-dimethylpyridine-3-carboxamide
PubChem CID70978214
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC NameN-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4,5-dimethylpyridine-3-carboxamide
SMILESCCc1sc(-c2cc(C)on2)nc1-c1ccc(NC(=O)c2cncc(C)c2C)nc1
InChIInChI=1S/C22H21N5O2S/c1-5-18-20(26-22(30-18)17-8-13(3)29-27-17)15-6-7-19(24-10-15)25-21(28)16-11-23-9-12(2)14(16)4/h6-11H,5H2,1-4H3,(H,24,25,28)
InChIKeyUAUJZSNVAMWPTD-UHFFFAOYSA-N
XLogP5.00
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4,5-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4,5-dimethylpyridine-3-carboxamide (CID 70978214) is N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4,5-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4,5-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4,5-dimethylpyridine-3-carboxamide is CCc1sc(-c2cc(C)on2)nc1-c1ccc(NC(=O)c2cncc(C)c2C)nc1.
What is the InChIKey of N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4,5-dimethylpyridine-3-carboxamide?
The InChIKey is UAUJZSNVAMWPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-5-18-20(26-22(30-18)17-8-13(3)29-27-17)15-6-7-19(24-10-15)25-21(28)16-11-23-9-12(2)14(16)4/h6-11H,5H2,1-4H3,(H,24,25,28).
What are the key properties of N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4,5-dimethylpyridine-3-carboxamide?
N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4,5-dimethylpyridine-3-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]-4,5-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 70978214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).