5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide

C22H26N6O2S — CID 25126792

IUPAC5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(-c2nc(C(C)(C)C)cs2)c(-c2cncc(C(=O)NC)c2)cn1
InChIInChI=1S/C22H26N6O2S/c1-6-25-21(30)28-18-8-15(20-27-17(12-31-20)22(2,3)4)16(11-26-18)13-7-14(10-24-9-13)19(29)23-5/h7-12H,6H2,1-5H3,(H,23,29)(H2,25,26,28,30)
InChIKeyQBPLEZMVONOMDE-UHFFFAOYSA-N
MW438.56 g/mol
LogP4.07
Rot. Bonds5

About 5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide

5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide (PubChem CID 25126792) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
PubChem CID25126792
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC Name5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(-c2nc(C(C)(C)C)cs2)c(-c2cncc(C(=O)NC)c2)cn1
InChIInChI=1S/C22H26N6O2S/c1-6-25-21(30)28-18-8-15(20-27-17(12-31-20)22(2,3)4)16(11-26-18)13-7-14(10-24-9-13)19(29)23-5/h7-12H,6H2,1-5H3,(H,23,29)(H2,25,26,28,30)
InChIKeyQBPLEZMVONOMDE-UHFFFAOYSA-N
XLogP4.07
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-3-pyridinyl]-2-oxoethyl]-2-hydroxypropanamide
CID 161409810
1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea
CID 67289547
1-[5-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea
CID 67057605
4-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-2-carboxylic acid
CID 67057335
ethane;1-ethyl-3-[4-[4-(1-fluorocyclopropyl)-1,3-thiazol-2-yl]-5-[5-[(2-methylpropanoylamino)carbamoyl]-3-pyridinyl]-2-pyridinyl]urea;molecular hydrogen
CID 143855035
5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide
CID 143854950
1-[4-[4-(2,2-dimethyloxan-4-yl)-1,3-thiazol-2-yl]-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea
CID 67290861
1-ethyl-3-[5-[5-[5-(1-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
CID 67290564
ethyl 5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate
CID 67288900
4-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 143854971
methyl 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-2-methoxypyridine-3-carboxylate
CID 67288603
ethyl 5-[6-(ethylcarbamoylamino)-4-[4-[2-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate
CID 67289068

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide (CID 25126792) is 5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide is CCNC(=O)Nc1cc(-c2nc(C(C)(C)C)cs2)c(-c2cncc(C(=O)NC)c2)cn1.
What is the InChIKey of 5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The InChIKey is QBPLEZMVONOMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-6-25-21(30)28-18-8-15(20-27-17(12-31-20)22(2,3)4)16(11-26-18)13-7-14(10-24-9-13)19(29)23-5/h7-12H,6H2,1-5H3,(H,23,29)(H2,25,26,28,30).
What are the key properties of 5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide?
5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide has a molecular weight of 438.56 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 25126792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).