6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide

C23H21N3O2 — CID 133477137

IUPAC6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NCC(O)c2ccc(-c3ccccc3)cc2)nc1
InChIInChI=1S/C23H21N3O2/c1-2-14-24-23(28)20-12-13-22(25-15-20)26-16-21(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h1,3-13,15,21,27H,14,16H2,(H,24,28)(H,25,26)
InChIKeyOCDALJFLFOPHNN-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.26
Rot. Bonds7

About 6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide

6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide (PubChem CID 133477137) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
PubChem CID133477137
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NCC(O)c2ccc(-c3ccccc3)cc2)nc1
InChIInChI=1S/C23H21N3O2/c1-2-14-24-23(28)20-12-13-22(25-15-20)26-16-21(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h1,3-13,15,21,27H,14,16H2,(H,24,28)(H,25,26)
InChIKeyOCDALJFLFOPHNN-UHFFFAOYSA-N
XLogP3.26
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of 6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide (CID 133477137) is 6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for 6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide is C#CCNC(=O)c1ccc(NCC(O)c2ccc(-c3ccccc3)cc2)nc1.
What is the InChIKey of 6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is OCDALJFLFOPHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-2-14-24-23(28)20-12-13-22(25-15-20)26-16-21(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h1,3-13,15,21,27H,14,16H2,(H,24,28)(H,25,26).
What are the key properties of 6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide?
6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 133477137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).