4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C16H14ClN5O2S — CID 163390637

IUPAC4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCOc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(C)s1
InChIInChI=1S/C16H14ClN5O2S/c1-8-4-10(11-5-14(17)19-7-13(11)24-3)12(6-18-8)15(23)20-16-22-21-9(2)25-16/h4-7H,1-3H3,(H,20,22,23)
InChIKeyBQMFENATLFTHLF-UHFFFAOYSA-N
MW375.84 g/mol
LogP3.53
Rot. Bonds4

About 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 163390637) has the molecular formula C16H14ClN5O2S and a molecular weight of 375.84 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID163390637
Molecular FormulaC16H14ClN5O2S
Molecular Weight375.84 g/mol
Exact Mass375.06
IUPAC Name4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCOc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(C)s1
InChIInChI=1S/C16H14ClN5O2S/c1-8-4-10(11-5-14(17)19-7-13(11)24-3)12(6-18-8)15(23)20-16-22-21-9(2)25-16/h4-7H,1-3H3,(H,20,22,23)
InChIKeyBQMFENATLFTHLF-UHFFFAOYSA-N
XLogP3.53
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;ethane;ethylcyclopentane
CID 163391414
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;ethane;4-propylbicyclo[2.2.2]octan-1-ol
CID 163391347
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 166163203
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(cyclopentanecarbonyl)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176892198
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(4-methoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 166163344
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-[(3R)-3-methyloxolan-3-yl]oxy-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 167246349
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-(4-propoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 166162807
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-[[(3S)-oxolan-3-yl]methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 163391355
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(4-hydroxy-4-methylcyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 163391141
3-[[5-[[4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]azetidine-1-carboxylic acid
CID 175489351
N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide
CID 171486897
CID 163391497
CID 163391497

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 163390637) is 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(C)s1.
What is the InChIKey of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is BQMFENATLFTHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2S/c1-8-4-10(11-5-14(17)19-7-13(11)24-3)12(6-18-8)15(23)20-16-22-21-9(2)25-16/h4-7H,1-3H3,(H,20,22,23).
What are the key properties of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 375.84 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 163390637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).