6-[6-[6-(1-aminobutyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide

C22H22N6O — CID 118664492

IUPAC6-[6-[6-(1-aminobutyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide
SMILESCCCC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(N)=O)n4)c3c2)n1
InChIInChI=1S/C22H22N6O/c1-2-5-16(23)18-7-3-6-17(26-18)14-10-11-15-13-25-28(20(15)12-14)21-9-4-8-19(27-21)22(24)29/h3-4,6-13,16H,2,5,23H2,1H3,(H2,24,29)
InChIKeyPTTIRLXQUYSNBM-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.38
Rot. Bonds6

About 6-[6-[6-(1-aminobutyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide

6-[6-[6-(1-aminobutyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide (PubChem CID 118664492) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 6-[6-[6-(1-aminobutyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[6-[6-(1-aminobutyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide
PubChem CID118664492
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name6-[6-[6-(1-aminobutyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide
SMILESCCCC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(N)=O)n4)c3c2)n1
InChIInChI=1S/C22H22N6O/c1-2-5-16(23)18-7-3-6-17(26-18)14-10-11-15-13-25-28(20(15)12-14)21-9-4-8-19(27-21)22(24)29/h3-4,6-13,16H,2,5,23H2,1H3,(H2,24,29)
InChIKeyPTTIRLXQUYSNBM-UHFFFAOYSA-N
XLogP3.38
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[6-(1-aminobutyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[6-[6-(1-aminobutyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide (CID 118664492) is 6-[6-[6-(1-aminobutyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[6-[6-(1-aminobutyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[6-[6-(1-aminobutyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide is CCCC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(N)=O)n4)c3c2)n1.
What is the InChIKey of 6-[6-[6-(1-aminobutyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide?
The InChIKey is PTTIRLXQUYSNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-2-5-16(23)18-7-3-6-17(26-18)14-10-11-15-13-25-28(20(15)12-14)21-9-4-8-19(27-21)22(24)29/h3-4,6-13,16H,2,5,23H2,1H3,(H2,24,29).
What are the key properties of 6-[6-[6-(1-aminobutyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide?
6-[6-[6-(1-aminobutyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[6-(1-aminobutyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118664492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).