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

C17H22N4O — CID 46961739

IUPACN,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1CCc2[nH]nc(C(=O)N(C)CCc3ccncc3)c2C1
InChIInChI=1S/C17H22N4O/c1-12-3-4-15-14(11-12)16(20-19-15)17(22)21(2)10-7-13-5-8-18-9-6-13/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,19,20)
InChIKeyJPDJZPKYQJNFOS-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.24
Rot. Bonds4

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

N,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 46961739) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID46961739
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1CCc2[nH]nc(C(=O)N(C)CCc3ccncc3)c2C1
InChIInChI=1S/C17H22N4O/c1-12-3-4-15-14(11-12)16(20-19-15)17(22)21(2)10-7-13-5-8-18-9-6-13/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,19,20)
InChIKeyJPDJZPKYQJNFOS-UHFFFAOYSA-N
XLogP2.24
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 46961739) is N,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC1CCc2[nH]nc(C(=O)N(C)CCc3ccncc3)c2C1.
What is the InChIKey of N,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is JPDJZPKYQJNFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-3-4-15-14(11-12)16(20-19-15)17(22)21(2)10-7-13-5-8-18-9-6-13/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,19,20).
What are the key properties of N,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 46961739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).