2-[(4-chlorophenyl)-hydroxymethyl]-N-phenylpyridine-4-carboxamide

C19H15ClN2O2 — CID 23316387

IUPAC2-[(4-chlorophenyl)-hydroxymethyl]-N-phenylpyridine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1ccnc(C(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H15ClN2O2/c20-15-8-6-13(7-9-15)18(23)17-12-14(10-11-21-17)19(24)22-16-4-2-1-3-5-16/h1-12,18,23H,(H,22,24)
InChIKeyIYMVDYVUZNNXBO-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.07
Rot. Bonds4

About 2-[(4-chlorophenyl)-hydroxymethyl]-N-phenylpyridine-4-carboxamide

2-[(4-chlorophenyl)-hydroxymethyl]-N-phenylpyridine-4-carboxamide (PubChem CID 23316387) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-hydroxymethyl]-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-hydroxymethyl]-N-phenylpyridine-4-carboxamide
PubChem CID23316387
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name2-[(4-chlorophenyl)-hydroxymethyl]-N-phenylpyridine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1ccnc(C(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H15ClN2O2/c20-15-8-6-13(7-9-15)18(23)17-12-14(10-11-21-17)19(24)22-16-4-2-1-3-5-16/h1-12,18,23H,(H,22,24)
InChIKeyIYMVDYVUZNNXBO-UHFFFAOYSA-N
XLogP4.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-hydroxymethyl]-N-phenylpyridine-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)-hydroxymethyl]-N-phenylpyridine-4-carboxamide (CID 23316387) is 2-[(4-chlorophenyl)-hydroxymethyl]-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)-hydroxymethyl]-N-phenylpyridine-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)-hydroxymethyl]-N-phenylpyridine-4-carboxamide is O=C(Nc1ccccc1)c1ccnc(C(O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)-hydroxymethyl]-N-phenylpyridine-4-carboxamide?
The InChIKey is IYMVDYVUZNNXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c20-15-8-6-13(7-9-15)18(23)17-12-14(10-11-21-17)19(24)22-16-4-2-1-3-5-16/h1-12,18,23H,(H,22,24).
What are the key properties of 2-[(4-chlorophenyl)-hydroxymethyl]-N-phenylpyridine-4-carboxamide?
2-[(4-chlorophenyl)-hydroxymethyl]-N-phenylpyridine-4-carboxamide has a molecular weight of 338.79 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-hydroxymethyl]-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 23316387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).