N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide

C17H22N4O — CID 90650169

IUPACN-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)CCc1cccnc1
InChIInChI=1S/C17H22N4O/c1-21(17(22)9-8-13-5-4-10-18-11-13)12-16-14-6-2-3-7-15(14)19-20-16/h4-5,10-11H,2-3,6-9,12H2,1H3,(H,19,20)
InChIKeyOUVGNTFOFGORAE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.27
Rot. Bonds5

About N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide

N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide (PubChem CID 90650169) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide
PubChem CID90650169
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)CCc1cccnc1
InChIInChI=1S/C17H22N4O/c1-21(17(22)9-8-13-5-4-10-18-11-13)12-16-14-6-2-3-7-15(14)19-20-16/h4-5,10-11H,2-3,6-9,12H2,1H3,(H,19,20)
InChIKeyOUVGNTFOFGORAE-UHFFFAOYSA-N
XLogP2.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 95903055
1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 166623506
1-methyl-3-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea
CID 122570891
N-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine
CID 74233572
N-methyl-3-pyridin-3-yl-N-[[3-(tetrazolidin-5-yl)phenyl]methyl]propanamide
CID 133264805
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 134013174
N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 134003798
N-methyl-3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 86932668
N'-methyl-N-(2-propan-2-ylphenyl)-N'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butanediamide
CID 46987826
N-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91777997
N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide
CID 42170626
2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91760765

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide?
The IUPAC name of N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide (CID 90650169) is N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide?
The canonical SMILES for N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide is CN(Cc1n[nH]c2c1CCCC2)C(=O)CCc1cccnc1.
What is the InChIKey of N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide?
The InChIKey is OUVGNTFOFGORAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-21(17(22)9-8-13-5-4-10-18-11-13)12-16-14-6-2-3-7-15(14)19-20-16/h4-5,10-11H,2-3,6-9,12H2,1H3,(H,19,20).
What are the key properties of N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide?
N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide is sourced from PubChem (CID 90650169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).