N-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide

C18H20N4O2 — CID 165385295

IUPACN-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide
SMILESCCCOc1cncc(C(=O)N(C)Cc2cccc3cn[nH]c23)c1
InChIInChI=1S/C18H20N4O2/c1-3-7-24-16-8-15(9-19-11-16)18(23)22(2)12-14-6-4-5-13-10-20-21-17(13)14/h4-6,8-11H,3,7,12H2,1-2H3,(H,20,21)
InChIKeyXVWYTMRJXGBWCN-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.02
Rot. Bonds6

About N-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide

N-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide (PubChem CID 165385295) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide
PubChem CID165385295
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide
SMILESCCCOc1cncc(C(=O)N(C)Cc2cccc3cn[nH]c23)c1
InChIInChI=1S/C18H20N4O2/c1-3-7-24-16-8-15(9-19-11-16)18(23)22(2)12-14-6-4-5-13-10-20-21-17(13)14/h4-6,8-11H,3,7,12H2,1-2H3,(H,20,21)
InChIKeyXVWYTMRJXGBWCN-UHFFFAOYSA-N
XLogP3.02
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 165385158
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide
CID 165385443
2-fluoro-5-[4-[1H-indazol-7-ylmethyl(methyl)carbamoyl]-2-propoxyphenyl]-N-methylbenzamide
CID 165385378
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide
CID 165385189
3-ethoxy-4-(4-ethynylphenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385424
N-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide
CID 55770837
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(4-prop-1-ynylphenyl)benzamide
CID 165385234
3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385394
2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide
CID 165385291
N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine
CID 96741733
5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide
CID 165385275
3-(2-methoxyethoxy)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 126820356

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide?
The IUPAC name of N-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide (CID 165385295) is N-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide.
What is the SMILES notation for N-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide?
The canonical SMILES for N-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide is CCCOc1cncc(C(=O)N(C)Cc2cccc3cn[nH]c23)c1.
What is the InChIKey of N-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide?
The InChIKey is XVWYTMRJXGBWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-7-24-16-8-15(9-19-11-16)18(23)22(2)12-14-6-4-5-13-10-20-21-17(13)14/h4-6,8-11H,3,7,12H2,1-2H3,(H,20,21).
What are the key properties of N-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide?
N-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide is sourced from PubChem (CID 165385295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).