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

C23H25N3O2 — CID 46881527

IUPACN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C23H25N3O2/c1-17-5-2-3-7-21(17)23(28)26-20-10-8-18(9-11-20)12-14-25-16-22(27)19-6-4-13-24-15-19/h2-11,13,15,22,25,27H,12,14,16H2,1H3,(H,26,28)/t22-/m0/s1
InChIKeyDOVQDWVPKGHVME-QFIPXVFZSA-N
MW375.47 g/mol
LogP3.51
Rot. Bonds8

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

N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-methylbenzamide (PubChem CID 46881527) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-methylbenzamide
PubChem CID46881527
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C23H25N3O2/c1-17-5-2-3-7-21(17)23(28)26-20-10-8-18(9-11-20)12-14-25-16-22(27)19-6-4-13-24-15-19/h2-11,13,15,22,25,27H,12,14,16H2,1H3,(H,26,28)/t22-/m0/s1
InChIKeyDOVQDWVPKGHVME-QFIPXVFZSA-N
XLogP3.51
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-methylbenzamide?
The IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-methylbenzamide (CID 46881527) is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)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-methylbenzamide?
The InChIKey is DOVQDWVPKGHVME-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-5-2-3-7-21(17)23(28)26-20-10-8-18(9-11-20)12-14-25-16-22(27)19-6-4-13-24-15-19/h2-11,13,15,22,25,27H,12,14,16H2,1H3,(H,26,28)/t22-/m0/s1.
What are the key properties of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-methylbenzamide?
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-methylbenzamide has a molecular weight of 375.47 g/mol, XLogP of 3.51, 8 rotatable bonds, 3 hydrogen bond donors, and 4 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-methylbenzamide is sourced from PubChem (CID 46881527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).