N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide

C19H15ClN2O2 — CID 95733609

IUPACN-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cccnc1
InChIInChI=1S/C19H15ClN2O2/c20-15-8-9-17(22-19(24)14-7-4-10-21-12-14)16(11-15)18(23)13-5-2-1-3-6-13/h1-12,18,23H,(H,22,24)/t18-/m1/s1
InChIKeyRNEHYBJHBKKQTA-GOSISDBHSA-N
MW338.79 g/mol
LogP4.07
Rot. Bonds4

About N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide

N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 95733609) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide
PubChem CID95733609
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC NameN-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cccnc1
InChIInChI=1S/C19H15ClN2O2/c20-15-8-9-17(22-19(24)14-7-4-10-21-12-14)16(11-15)18(23)13-5-2-1-3-6-13/h1-12,18,23H,(H,22,24)/t18-/m1/s1
InChIKeyRNEHYBJHBKKQTA-GOSISDBHSA-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 N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide (CID 95733609) is N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cccnc1.
What is the InChIKey of N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is RNEHYBJHBKKQTA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c20-15-8-9-17(22-19(24)14-7-4-10-21-12-14)16(11-15)18(23)13-5-2-1-3-6-13/h1-12,18,23H,(H,22,24)/t18-/m1/s1.
What are the key properties of N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide?
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-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 N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 95733609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).