N,1-dimethyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C16H20N4O2 — CID 136566796

IUPACN,1-dimethyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(Cc1cccc(=O)[nH]1)C(=O)c1nn(C)c2c1CCCC2
InChIInChI=1S/C16H20N4O2/c1-19(10-11-6-5-9-14(21)17-11)16(22)15-12-7-3-4-8-13(12)20(2)18-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,21)
InChIKeyZRCFILORGCCLAN-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.26
Rot. Bonds3

About N,1-dimethyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

N,1-dimethyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 136566796) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N,1-dimethyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID136566796
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN,1-dimethyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(Cc1cccc(=O)[nH]1)C(=O)c1nn(C)c2c1CCCC2
InChIInChI=1S/C16H20N4O2/c1-19(10-11-6-5-9-14(21)17-11)16(22)15-12-7-3-4-8-13(12)20(2)18-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,21)
InChIKeyZRCFILORGCCLAN-UHFFFAOYSA-N
XLogP1.26
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 136566796) is N,1-dimethyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is CN(Cc1cccc(=O)[nH]1)C(=O)c1nn(C)c2c1CCCC2.
What is the InChIKey of N,1-dimethyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is ZRCFILORGCCLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19(10-11-6-5-9-14(21)17-11)16(22)15-12-7-3-4-8-13(12)20(2)18-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,21).
What are the key properties of N,1-dimethyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
N,1-dimethyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 136566796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).