5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide

C21H19N7O2 — CID 86679697

IUPAC5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4cccnc4)c3c2)c1
InChIInChI=1S/C21H19N7O2/c1-28(2)21(30)25-16-8-14(10-23-12-16)13-5-6-18-17(9-13)19(27-26-18)20(29)24-15-4-3-7-22-11-15/h3-12H,1-2H3,(H,24,29)(H,25,30)(H,26,27)
InChIKeyIKVOBHXHPOWLRJ-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.37
Rot. Bonds4

About 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide

5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 86679697) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID86679697
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4cccnc4)c3c2)c1
InChIInChI=1S/C21H19N7O2/c1-28(2)21(30)25-16-8-14(10-23-12-16)13-5-6-18-17(9-13)19(27-26-18)20(29)24-15-4-3-7-22-11-15/h3-12H,1-2H3,(H,24,29)(H,25,30)(H,26,27)
InChIKeyIKVOBHXHPOWLRJ-UHFFFAOYSA-N
XLogP3.37
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide (CID 86679697) is 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide is CN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4cccnc4)c3c2)c1.
What is the InChIKey of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is IKVOBHXHPOWLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-28(2)21(30)25-16-8-14(10-23-12-16)13-5-6-18-17(9-13)19(27-26-18)20(29)24-15-4-3-7-22-11-15/h3-12H,1-2H3,(H,24,29)(H,25,30)(H,26,27).
What are the key properties of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 86679697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).