6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide

C22H22N6O — CID 118663611

IUPAC6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide
SMILESCNC(=O)c1cc(-c2cccc(C(C)N)n2)cc2c1cnn2-c1cccc(C)n1
InChIInChI=1S/C22H22N6O/c1-13-6-4-9-21(26-13)28-20-11-15(19-8-5-7-18(27-19)14(2)23)10-16(22(29)24-3)17(20)12-25-28/h4-12,14H,23H2,1-3H3,(H,24,29)
InChIKeyLFBYMECMQUPXBG-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.17
Rot. Bonds4

About 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide

6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide (PubChem CID 118663611) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide.

Molecular Properties

Compound Name6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide
PubChem CID118663611
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide
SMILESCNC(=O)c1cc(-c2cccc(C(C)N)n2)cc2c1cnn2-c1cccc(C)n1
InChIInChI=1S/C22H22N6O/c1-13-6-4-9-21(26-13)28-20-11-15(19-8-5-7-18(27-19)14(2)23)10-16(22(29)24-3)17(20)12-25-28/h4-12,14H,23H2,1-3H3,(H,24,29)
InChIKeyLFBYMECMQUPXBG-UHFFFAOYSA-N
XLogP3.17
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide?
The IUPAC name of 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide (CID 118663611) is 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide.
What is the SMILES notation for 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide?
The canonical SMILES for 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide is CNC(=O)c1cc(-c2cccc(C(C)N)n2)cc2c1cnn2-c1cccc(C)n1.
What is the InChIKey of 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide?
The InChIKey is LFBYMECMQUPXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-13-6-4-9-21(26-13)28-20-11-15(19-8-5-7-18(27-19)14(2)23)10-16(22(29)24-3)17(20)12-25-28/h4-12,14H,23H2,1-3H3,(H,24,29).
What are the key properties of 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide?
6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide is sourced from PubChem (CID 118663611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).