N,N-dimethyl-6-[1-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

C21H21N5O3 — CID 177171090

IUPACN,N-dimethyl-6-[1-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)c4ccn[nH]c4=O)C3)cc2[nH]1
InChIInChI=1S/C21H21N5O3/c1-25(2)21(29)18-11-14-6-5-13(10-17(14)23-18)15-4-3-9-26(12-15)20(28)16-7-8-22-24-19(16)27/h4-8,10-11,23H,3,9,12H2,1-2H3,(H,24,27)
InChIKeyOKZITKJDNARZBG-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.88
Rot. Bonds3

About N,N-dimethyl-6-[1-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

N,N-dimethyl-6-[1-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (PubChem CID 177171090) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N,N-dimethyl-6-[1-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[1-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
PubChem CID177171090
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN,N-dimethyl-6-[1-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)c4ccn[nH]c4=O)C3)cc2[nH]1
InChIInChI=1S/C21H21N5O3/c1-25(2)21(29)18-11-14-6-5-13(10-17(14)23-18)15-4-3-9-26(12-15)20(28)16-7-8-22-24-19(16)27/h4-8,10-11,23H,3,9,12H2,1-2H3,(H,24,27)
InChIKeyOKZITKJDNARZBG-UHFFFAOYSA-N
XLogP1.88
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[1-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-[1-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (CID 177171090) is N,N-dimethyl-6-[1-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[1-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[1-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)c4ccn[nH]c4=O)C3)cc2[nH]1.
What is the InChIKey of N,N-dimethyl-6-[1-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The InChIKey is OKZITKJDNARZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-25(2)21(29)18-11-14-6-5-13(10-17(14)23-18)15-4-3-9-26(12-15)20(28)16-7-8-22-24-19(16)27/h4-8,10-11,23H,3,9,12H2,1-2H3,(H,24,27).
What are the key properties of N,N-dimethyl-6-[1-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
N,N-dimethyl-6-[1-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[1-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 177171090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).