N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-3-methylpyridine-2-carboxamide

C23H28N4O3 — CID 164850344

IUPACN-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1ccc2c(OCC3CC(C)OC(C)C3)nn(C)c2c1
InChIInChI=1S/C23H28N4O3/c1-14-6-5-9-24-21(14)22(28)25-18-7-8-19-20(12-18)27(4)26-23(19)29-13-17-10-15(2)30-16(3)11-17/h5-9,12,15-17H,10-11,13H2,1-4H3,(H,25,28)
InChIKeyNDOLGDPJEIJUCX-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.11
Rot. Bonds5

About N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-3-methylpyridine-2-carboxamide

N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-3-methylpyridine-2-carboxamide (PubChem CID 164850344) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-3-methylpyridine-2-carboxamide
PubChem CID164850344
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1ccc2c(OCC3CC(C)OC(C)C3)nn(C)c2c1
InChIInChI=1S/C23H28N4O3/c1-14-6-5-9-24-21(14)22(28)25-18-7-8-19-20(12-18)27(4)26-23(19)29-13-17-10-15(2)30-16(3)11-17/h5-9,12,15-17H,10-11,13H2,1-4H3,(H,25,28)
InChIKeyNDOLGDPJEIJUCX-UHFFFAOYSA-N
XLogP4.11
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide
CID 167616297
N-[1-methyl-3-(3-methyloxan-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide
CID 164850327
3-amino-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
CID 146626710
N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide
CID 62338956
3-(cyclobutylmethoxy)-1-methylindazole-6-carboxylic acid
CID 112757809
N-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide
CID 146626709
N-(4-iodophenyl)-3-methylpyridine-2-carboxamide
CID 62339482
N-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide
CID 106910544
N-(3-cyano-4-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 62340831
N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-3,5-dimethylpyridine-2-carboxamide
CID 153496072
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 166215509
3-methyl-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 62339318

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-3-methylpyridine-2-carboxamide (CID 164850344) is N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)Nc1ccc2c(OCC3CC(C)OC(C)C3)nn(C)c2c1.
What is the InChIKey of N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-3-methylpyridine-2-carboxamide?
The InChIKey is NDOLGDPJEIJUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-14-6-5-9-24-21(14)22(28)25-18-7-8-19-20(12-18)27(4)26-23(19)29-13-17-10-15(2)30-16(3)11-17/h5-9,12,15-17H,10-11,13H2,1-4H3,(H,25,28).
What are the key properties of N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-3-methylpyridine-2-carboxamide?
N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-3-methylpyridine-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 164850344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).