N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide

C23H20N4O2S — CID 176859725

IUPACN-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(-c2ncccc2C(=O)Nc2nc(-c3nccc(C)c3C)cs2)cc1
InChIInChI=1S/C23H20N4O2S/c1-14-10-12-25-20(15(14)2)19-13-30-23(26-19)27-22(28)18-5-4-11-24-21(18)16-6-8-17(29-3)9-7-16/h4-13H,1-3H3,(H,26,27,28)
InChIKeyKCADRFXRXRMFBR-UHFFFAOYSA-N
MW416.51 g/mol
LogP5.14
Rot. Bonds5

About N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide

N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 176859725) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID176859725
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(-c2ncccc2C(=O)Nc2nc(-c3nccc(C)c3C)cs2)cc1
InChIInChI=1S/C23H20N4O2S/c1-14-10-12-25-20(15(14)2)19-13-30-23(26-19)27-22(28)18-5-4-11-24-21(18)16-6-8-17(29-3)9-7-16/h4-13H,1-3H3,(H,26,27,28)
InChIKeyKCADRFXRXRMFBR-UHFFFAOYSA-N
XLogP5.14
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide
CID 176859765
2-(4-fluoro-3-methoxyphenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 176859316
2-(3-methoxyphenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 176859049
N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-phenylpyridine-3-carboxamide
CID 176858893
N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(4-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 176858724
methyl 3-[2-[[2-(4-tert-butylphenyl)pyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]benzoate
CID 87673985
N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 176860054
2-(4-fluoro-3-methoxyphenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 176859350
2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46978469
4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 52900445
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 134003036
methane;4-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 158194768

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide (CID 176859725) is N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(-c2ncccc2C(=O)Nc2nc(-c3nccc(C)c3C)cs2)cc1.
What is the InChIKey of N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is KCADRFXRXRMFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-14-10-12-25-20(15(14)2)19-13-30-23(26-19)27-22(28)18-5-4-11-24-21(18)16-6-8-17(29-3)9-7-16/h4-13H,1-3H3,(H,26,27,28).
What are the key properties of N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide?
N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 176859725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).