methyl 4-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate

C24H21N5O3S — CID 67288491

IUPACmethyl 4-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate
SMILESCCNC(=O)Nc1cc(-c2nc(-c3ccccc3)cs2)c(-c2ccnc(C(=O)OC)c2)cn1
InChIInChI=1S/C24H21N5O3S/c1-3-25-24(31)29-21-12-17(22-28-20(14-33-22)15-7-5-4-6-8-15)18(13-27-21)16-9-10-26-19(11-16)23(30)32-2/h4-14H,3H2,1-2H3,(H2,25,27,29,31)
InChIKeyOMOVYYDHTSNLFN-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.86
Rot. Bonds6

About methyl 4-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate

methyl 4-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate (PubChem CID 67288491) has the molecular formula C24H21N5O3S and a molecular weight of 459.53 g/mol. Its IUPAC name is methyl 4-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate
PubChem CID67288491
Molecular FormulaC24H21N5O3S
Molecular Weight459.53 g/mol
Exact Mass459.14
IUPAC Namemethyl 4-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate
SMILESCCNC(=O)Nc1cc(-c2nc(-c3ccccc3)cs2)c(-c2ccnc(C(=O)OC)c2)cn1
InChIInChI=1S/C24H21N5O3S/c1-3-25-24(31)29-21-12-17(22-28-20(14-33-22)15-7-5-4-6-8-15)18(13-27-21)16-9-10-26-19(11-16)23(30)32-2/h4-14H,3H2,1-2H3,(H2,25,27,29,31)
InChIKeyOMOVYYDHTSNLFN-UHFFFAOYSA-N
XLogP4.86
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 2-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-4-(4-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylate
CID 67288957
[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]oxyboronic acid
CID 142785516
methyl 4-[6-(propylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-2-carboxylate
CID 67057243
4-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-2-carboxylic acid
CID 67057335
4-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 143854971
N,1-diethyl-6-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-4-oxoquinoline-3-carboxamide
CID 59415831
ethyl 5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate
CID 67288900
5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide
CID 143854950
3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 59208491
ethyl 5-[6-(ethylcarbamoylamino)-4-[4-[2-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate
CID 67289068
[6-(ethylcarbamoylamino)-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxyboronic acid
CID 142785517
1-ethyl-3-[5-[4-(2-methyl-1,2,4-triazol-3-yl)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-4-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]urea
CID 68640717

Frequently Asked Questions

What is the IUPAC name of methyl 4-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate (CID 67288491) is methyl 4-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate is CCNC(=O)Nc1cc(-c2nc(-c3ccccc3)cs2)c(-c2ccnc(C(=O)OC)c2)cn1.
What is the InChIKey of methyl 4-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate?
The InChIKey is OMOVYYDHTSNLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S/c1-3-25-24(31)29-21-12-17(22-28-20(14-33-22)15-7-5-4-6-8-15)18(13-27-21)16-9-10-26-19(11-16)23(30)32-2/h4-14H,3H2,1-2H3,(H2,25,27,29,31).
What are the key properties of methyl 4-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate?
methyl 4-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate has a molecular weight of 459.53 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate is sourced from PubChem (CID 67288491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).