N-[(3-methoxyphenyl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C18H20N4O3 — CID 39910874

IUPACN-[(3-methoxyphenyl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(C)nc3c2c(=O)[nH]n3C)c1
InChIInChI=1S/C18H20N4O3/c1-11-8-14(15-16(19-11)22(3)20-17(15)23)18(24)21(2)10-12-6-5-7-13(9-12)25-4/h5-9H,10H2,1-4H3,(H,20,23)
InChIKeyVTRRZYUYHDWYDT-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.85
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

N-[(3-methoxyphenyl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 39910874) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID39910874
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(C)nc3c2c(=O)[nH]n3C)c1
InChIInChI=1S/C18H20N4O3/c1-11-8-14(15-16(19-11)22(3)20-17(15)23)18(24)21(2)10-12-6-5-7-13(9-12)25-4/h5-9H,10H2,1-4H3,(H,20,23)
InChIKeyVTRRZYUYHDWYDT-UHFFFAOYSA-N
XLogP1.85
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 115330502
5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 61418056
2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 114371373
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 34656415
2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 107722488
N-[(3-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51262026
5-N-ethyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide
CID 126749858
6-cyclopropyl-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 39418495
2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114917457
3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103975419
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 9112314

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 39910874) is N-[(3-methoxyphenyl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is COc1cccc(CN(C)C(=O)c2cc(C)nc3c2c(=O)[nH]n3C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is VTRRZYUYHDWYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-8-14(15-16(19-11)22(3)20-17(15)23)18(24)21(2)10-12-6-5-7-13(9-12)25-4/h5-9H,10H2,1-4H3,(H,20,23).
What are the key properties of N-[(3-methoxyphenyl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 39910874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).