6-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]pyridine-3-carboxamide

C26H23F2N7O3S — CID 177234925

IUPAC6-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]pyridine-3-carboxamide
SMILESCOC1=CNC(C(F)F)C=C1c1cc(-n2cc(N)c(C)cc2=O)ncc1C(=O)Nc1nnc(C#CC2CC2)s1
InChIInChI=1S/C26H23F2N7O3S/c1-13-7-23(36)35(12-18(13)29)21-9-15(16-8-19(24(27)28)30-11-20(16)38-2)17(10-31-21)25(37)32-26-34-33-22(39-26)6-5-14-3-4-14/h7-12,14,19,24,30H,3-4,29H2,1-2H3,(H,32,34,37)
InChIKeyQXEQEGBXWZWYPY-UHFFFAOYSA-N
MW551.58 g/mol
LogP3.10
Rot. Bonds6

About 6-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]pyridine-3-carboxamide

6-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]pyridine-3-carboxamide (PubChem CID 177234925) has the molecular formula C26H23F2N7O3S and a molecular weight of 551.58 g/mol. Its IUPAC name is 6-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]pyridine-3-carboxamide
PubChem CID177234925
Molecular FormulaC26H23F2N7O3S
Molecular Weight551.58 g/mol
Exact Mass551.16
IUPAC Name6-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]pyridine-3-carboxamide
SMILESCOC1=CNC(C(F)F)C=C1c1cc(-n2cc(N)c(C)cc2=O)ncc1C(=O)Nc1nnc(C#CC2CC2)s1
InChIInChI=1S/C26H23F2N7O3S/c1-13-7-23(36)35(12-18(13)29)21-9-15(16-8-19(24(27)28)30-11-20(16)38-2)17(10-31-21)25(37)32-26-34-33-22(39-26)6-5-14-3-4-14/h7-12,14,19,24,30H,3-4,29H2,1-2H3,(H,32,34,37)
InChIKeyQXEQEGBXWZWYPY-UHFFFAOYSA-N
XLogP3.10
TPSA137.05 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.58
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

CID 168176292
CID 168176292
CID 172336638
CID 172336638
CID 172336966
CID 172336966
CID 172337056
CID 172337056
CID 178347482
CID 178347482
CID 168176898
CID 168176898
CID 172336161
CID 172336161
CID 172336376
CID 172336376
CID 172336733
CID 172336733
CID 172336748
CID 172336748
CID 172336856
CID 172336856
CID 172337044
CID 172337044

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]pyridine-3-carboxamide (CID 177234925) is 6-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]pyridine-3-carboxamide is COC1=CNC(C(F)F)C=C1c1cc(-n2cc(N)c(C)cc2=O)ncc1C(=O)Nc1nnc(C#CC2CC2)s1.
What is the InChIKey of 6-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]pyridine-3-carboxamide?
The InChIKey is QXEQEGBXWZWYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N7O3S/c1-13-7-23(36)35(12-18(13)29)21-9-15(16-8-19(24(27)28)30-11-20(16)38-2)17(10-31-21)25(37)32-26-34-33-22(39-26)6-5-14-3-4-14/h7-12,14,19,24,30H,3-4,29H2,1-2H3,(H,32,34,37).
What are the key properties of 6-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]pyridine-3-carboxamide?
6-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]pyridine-3-carboxamide has a molecular weight of 551.58 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-1,2-dihydropyridin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 177234925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).