6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]-N-methylindazole-4-carboxamide

C22H22N6O2 — CID 118664673

IUPAC6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]-N-methylindazole-4-carboxamide
SMILESCNC(=O)c1cc(-c2cccc(C(C)N)n2)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C22H22N6O2/c1-13(23)18-6-4-7-19(27-18)14-9-16(22(30)24-2)17-11-25-28(20(17)10-14)21-8-3-5-15(12-29)26-21/h3-11,13,29H,12,23H2,1-2H3,(H,24,30)
InChIKeyYRWCQTUPVZITKQ-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.35
Rot. Bonds5

About 6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]-N-methylindazole-4-carboxamide

6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]-N-methylindazole-4-carboxamide (PubChem CID 118664673) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]-N-methylindazole-4-carboxamide.

Molecular Properties

Compound Name6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]-N-methylindazole-4-carboxamide
PubChem CID118664673
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]-N-methylindazole-4-carboxamide
SMILESCNC(=O)c1cc(-c2cccc(C(C)N)n2)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C22H22N6O2/c1-13(23)18-6-4-7-19(27-18)14-9-16(22(30)24-2)17-11-25-28(20(17)10-14)21-8-3-5-15(12-29)26-21/h3-11,13,29H,12,23H2,1-2H3,(H,24,30)
InChIKeyYRWCQTUPVZITKQ-UHFFFAOYSA-N
XLogP2.35
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]-N-methylindazole-4-carboxamide?
The IUPAC name of 6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]-N-methylindazole-4-carboxamide (CID 118664673) is 6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]-N-methylindazole-4-carboxamide.
What is the SMILES notation for 6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]-N-methylindazole-4-carboxamide?
The canonical SMILES for 6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]-N-methylindazole-4-carboxamide is CNC(=O)c1cc(-c2cccc(C(C)N)n2)cc2c1cnn2-c1cccc(CO)n1.
What is the InChIKey of 6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]-N-methylindazole-4-carboxamide?
The InChIKey is YRWCQTUPVZITKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-13(23)18-6-4-7-19(27-18)14-9-16(22(30)24-2)17-11-25-28(20(17)10-14)21-8-3-5-15(12-29)26-21/h3-11,13,29H,12,23H2,1-2H3,(H,24,30).
What are the key properties of 6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]-N-methylindazole-4-carboxamide?
6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]-N-methylindazole-4-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-aminoethyl)-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]-N-methylindazole-4-carboxamide is sourced from PubChem (CID 118664673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).