N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C19H21N5O — CID 77090443

IUPACN,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1CCc2[nH]nc(C(=O)N(C)Cc3cnc4ccccc4n3)c2C1
InChIInChI=1S/C19H21N5O/c1-12-7-8-15-14(9-12)18(23-22-15)19(25)24(2)11-13-10-20-16-5-3-4-6-17(16)21-13/h3-6,10,12H,7-9,11H2,1-2H3,(H,22,23)
InChIKeyNRIRSNRVQVIMDJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.75
Rot. Bonds3

About N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 77090443) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID77090443
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1CCc2[nH]nc(C(=O)N(C)Cc3cnc4ccccc4n3)c2C1
InChIInChI=1S/C19H21N5O/c1-12-7-8-15-14(9-12)18(23-22-15)19(25)24(2)11-13-10-20-16-5-3-4-6-17(16)21-13/h3-6,10,12H,7-9,11H2,1-2H3,(H,22,23)
InChIKeyNRIRSNRVQVIMDJ-UHFFFAOYSA-N
XLogP2.75
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 70760252
(5R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 95203995
N,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46961739
2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide
CID 72878914
N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide
CID 72890369
N-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide
CID 72891203
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119073687
N-[(4-chlorophenyl)-pyrimidin-2-ylmethyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 166253174
N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 167876917
N-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 121229497
N-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide
CID 90647316
5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97389053

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 77090443) is N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC1CCc2[nH]nc(C(=O)N(C)Cc3cnc4ccccc4n3)c2C1.
What is the InChIKey of N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is NRIRSNRVQVIMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-7-8-15-14(9-12)18(23-22-15)19(25)24(2)11-13-10-20-16-5-3-4-6-17(16)21-13/h3-6,10,12H,7-9,11H2,1-2H3,(H,22,23).
What are the key properties of N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 77090443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).