N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-indazol-2-ylacetamide

C24H25N5O2 — CID 46881574

IUPACN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-indazol-2-ylacetamide
SMILESO=C(Cn1cc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C24H25N5O2/c30-23(19-5-3-12-25-14-19)15-26-13-11-18-7-9-21(10-8-18)27-24(31)17-29-16-20-4-1-2-6-22(20)28-29/h1-10,12,14,16,23,26,30H,11,13,15,17H2,(H,27,31)/t23-/m0/s1
InChIKeyPDCGVSFZLBZTJK-QHCPKHFHSA-N
MW415.50 g/mol
LogP2.94
Rot. Bonds9

About N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-indazol-2-ylacetamide

N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-indazol-2-ylacetamide (PubChem CID 46881574) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-indazol-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-indazol-2-ylacetamide
PubChem CID46881574
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-indazol-2-ylacetamide
SMILESO=C(Cn1cc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C24H25N5O2/c30-23(19-5-3-12-25-14-19)15-26-13-11-18-7-9-21(10-8-18)27-24(31)17-29-16-20-4-1-2-6-22(20)28-29/h1-10,12,14,16,23,26,30H,11,13,15,17H2,(H,27,31)/t23-/m0/s1
InChIKeyPDCGVSFZLBZTJK-QHCPKHFHSA-N
XLogP2.94
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-indazol-2-ylacetamide?
The IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-indazol-2-ylacetamide (CID 46881574) is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-indazol-2-ylacetamide.
What is the SMILES notation for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-indazol-2-ylacetamide?
The canonical SMILES for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-indazol-2-ylacetamide is O=C(Cn1cc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1.
What is the InChIKey of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-indazol-2-ylacetamide?
The InChIKey is PDCGVSFZLBZTJK-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-23(19-5-3-12-25-14-19)15-26-13-11-18-7-9-21(10-8-18)27-24(31)17-29-16-20-4-1-2-6-22(20)28-29/h1-10,12,14,16,23,26,30H,11,13,15,17H2,(H,27,31)/t23-/m0/s1.
What are the key properties of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-indazol-2-ylacetamide?
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-indazol-2-ylacetamide has a molecular weight of 415.50 g/mol, XLogP of 2.94, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-indazol-2-ylacetamide is sourced from PubChem (CID 46881574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).