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

C20H18N6O — CID 118663659

IUPAC6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide
SMILESCC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(N)=O)n4)c3c2)n1
InChIInChI=1S/C20H18N6O/c1-12(21)15-4-2-5-16(24-15)13-8-9-14-11-23-26(18(14)10-13)19-7-3-6-17(25-19)20(22)27/h2-12H,21H2,1H3,(H2,22,27)
InChIKeyPLMANBGSAMUMPX-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.60
Rot. Bonds4

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

6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide (PubChem CID 118663659) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide
PubChem CID118663659
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide
SMILESCC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(N)=O)n4)c3c2)n1
InChIInChI=1S/C20H18N6O/c1-12(21)15-4-2-5-16(24-15)13-8-9-14-11-23-26(18(14)10-13)19-7-3-6-17(25-19)20(22)27/h2-12H,21H2,1H3,(H2,22,27)
InChIKeyPLMANBGSAMUMPX-UHFFFAOYSA-N
XLogP2.60
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.60
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-aminoethyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide (CID 118663659) is 6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide is CC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(N)=O)n4)c3c2)n1.
What is the InChIKey of 6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide?
The InChIKey is PLMANBGSAMUMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-12(21)15-4-2-5-16(24-15)13-8-9-14-11-23-26(18(14)10-13)19-7-3-6-17(25-19)20(22)27/h2-12H,21H2,1H3,(H2,22,27).
What are the key properties of 6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide?
6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118663659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).