N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-1H-indazole-3-carboxamide

C16H16N4O2 — CID 53185019

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCOc1ncccc1CN(C)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C16H16N4O2/c1-20(10-11-6-5-9-17-15(11)22-2)16(21)14-12-7-3-4-8-13(12)18-19-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyLPPSDUQLGAGVPY-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.24
Rot. Bonds4

About N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-1H-indazole-3-carboxamide

N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 53185019) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID53185019
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCOc1ncccc1CN(C)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C16H16N4O2/c1-20(10-11-6-5-9-17-15(11)22-2)16(21)14-12-7-3-4-8-13(12)18-19-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyLPPSDUQLGAGVPY-UHFFFAOYSA-N
XLogP2.24
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-1H-indazole-3-carboxamide (CID 53185019) is N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-1H-indazole-3-carboxamide is COc1ncccc1CN(C)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is LPPSDUQLGAGVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-20(10-11-6-5-9-17-15(11)22-2)16(21)14-12-7-3-4-8-13(12)18-19-14/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-1H-indazole-3-carboxamide?
N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 53185019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).