6-amino-5-[2-[5-[(3,5-dimethoxyphenyl)carbamoyl]-2-methylphenyl]ethynyl]pyridine-3-carboxamide

C24H22N4O4 — CID 155526782

IUPAC6-amino-5-[2-[5-[(3,5-dimethoxyphenyl)carbamoyl]-2-methylphenyl]ethynyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(C)c(C#Cc3cc(C(N)=O)cnc3N)c2)cc(OC)c1
InChIInChI=1S/C24H22N4O4/c1-14-4-5-17(24(30)28-19-10-20(31-2)12-21(11-19)32-3)8-15(14)6-7-16-9-18(23(26)29)13-27-22(16)25/h4-5,8-13H,1-3H3,(H2,25,27)(H2,26,29)(H,28,30)
InChIKeyQGRPDFAOABWHIT-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.74
Rot. Bonds5

About 6-amino-5-[2-[5-[(3,5-dimethoxyphenyl)carbamoyl]-2-methylphenyl]ethynyl]pyridine-3-carboxamide

6-amino-5-[2-[5-[(3,5-dimethoxyphenyl)carbamoyl]-2-methylphenyl]ethynyl]pyridine-3-carboxamide (PubChem CID 155526782) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 6-amino-5-[2-[5-[(3,5-dimethoxyphenyl)carbamoyl]-2-methylphenyl]ethynyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-[2-[5-[(3,5-dimethoxyphenyl)carbamoyl]-2-methylphenyl]ethynyl]pyridine-3-carboxamide
PubChem CID155526782
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name6-amino-5-[2-[5-[(3,5-dimethoxyphenyl)carbamoyl]-2-methylphenyl]ethynyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(C)c(C#Cc3cc(C(N)=O)cnc3N)c2)cc(OC)c1
InChIInChI=1S/C24H22N4O4/c1-14-4-5-17(24(30)28-19-10-20(31-2)12-21(11-19)32-3)8-15(14)6-7-16-9-18(23(26)29)13-27-22(16)25/h4-5,8-13H,1-3H3,(H2,25,27)(H2,26,29)(H,28,30)
InChIKeyQGRPDFAOABWHIT-UHFFFAOYSA-N
XLogP2.74
TPSA129.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(3,4,5-Trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
6-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 140762429
3-[2-(2-amino-3-pyridinyl)ethynyl]-N-(3,5-dimethoxyphenyl)-4-methylbenzamide
CID 155512202
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-N-(3-methoxyphenyl)-4-methylbenzamide
CID 155547382
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-N-(3,5-dimethoxyphenyl)-4-methylbenzamide
CID 155555824
6-amino-5-[2-[5-[(3,5-dimethoxyphenyl)carbamoyl]-2-methylphenyl]ethynyl]-N-methylpyridine-3-carboxamide
CID 155561907
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 164612352
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 164616266
5-(4-acetamidophenyl)-2-amino-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 44529091
3-[2-(2-amino-5-chloro-3-pyridinyl)ethynyl]-N-(3,5-dimethoxyphenyl)-4-methylbenzamide
CID 155523325
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-N-(3,5-dimethoxyphenyl)-4-methoxybenzamide
CID 155529052
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-N-(3,5-dimethoxyphenyl)benzamide
CID 155536550

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[5-[(3,5-dimethoxyphenyl)carbamoyl]-2-methylphenyl]ethynyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-[2-[5-[(3,5-dimethoxyphenyl)carbamoyl]-2-methylphenyl]ethynyl]pyridine-3-carboxamide (CID 155526782) is 6-amino-5-[2-[5-[(3,5-dimethoxyphenyl)carbamoyl]-2-methylphenyl]ethynyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-[2-[5-[(3,5-dimethoxyphenyl)carbamoyl]-2-methylphenyl]ethynyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-[2-[5-[(3,5-dimethoxyphenyl)carbamoyl]-2-methylphenyl]ethynyl]pyridine-3-carboxamide is COc1cc(NC(=O)c2ccc(C)c(C#Cc3cc(C(N)=O)cnc3N)c2)cc(OC)c1.
What is the InChIKey of 6-amino-5-[2-[5-[(3,5-dimethoxyphenyl)carbamoyl]-2-methylphenyl]ethynyl]pyridine-3-carboxamide?
The InChIKey is QGRPDFAOABWHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-14-4-5-17(24(30)28-19-10-20(31-2)12-21(11-19)32-3)8-15(14)6-7-16-9-18(23(26)29)13-27-22(16)25/h4-5,8-13H,1-3H3,(H2,25,27)(H2,26,29)(H,28,30).
What are the key properties of 6-amino-5-[2-[5-[(3,5-dimethoxyphenyl)carbamoyl]-2-methylphenyl]ethynyl]pyridine-3-carboxamide?
6-amino-5-[2-[5-[(3,5-dimethoxyphenyl)carbamoyl]-2-methylphenyl]ethynyl]pyridine-3-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[5-[(3,5-dimethoxyphenyl)carbamoyl]-2-methylphenyl]ethynyl]pyridine-3-carboxamide is sourced from PubChem (CID 155526782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).