N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide

C19H15ClFN3O2 — CID 70797616

IUPACN-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide
SMILESCc1nc(CF)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(O)cn2)c1
InChIInChI=1S/C19H15ClFN3O2/c1-11-15(5-2-13(9-21)23-11)19(26)24-12-3-6-17(20)16(8-12)18-7-4-14(25)10-22-18/h2-8,10,25H,9H2,1H3,(H,24,26)
InChIKeyPNUCTHATPZLBGZ-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.53
Rot. Bonds4

About N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide

N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide (PubChem CID 70797616) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide
PubChem CID70797616
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC NameN-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide
SMILESCc1nc(CF)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(O)cn2)c1
InChIInChI=1S/C19H15ClFN3O2/c1-11-15(5-2-13(9-21)23-11)19(26)24-12-3-6-17(20)16(8-12)18-7-4-14(25)10-22-18/h2-8,10,25H,9H2,1H3,(H,24,26)
InChIKeyPNUCTHATPZLBGZ-UHFFFAOYSA-N
XLogP4.53
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 172435799
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CID 10400499
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CID 11244809
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CID 11645039
CID 11645039
CID 58614630
CID 58614630
CID 58614681
CID 58614681
CID 58614811
CID 58614811
CID 58614812
CID 58614812
CID 58614880
CID 58614880
CID 58614893
CID 58614893
CID 58614927
CID 58614927

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide (CID 70797616) is N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide is Cc1nc(CF)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(O)cn2)c1.
What is the InChIKey of N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide?
The InChIKey is PNUCTHATPZLBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-11-15(5-2-13(9-21)23-11)19(26)24-12-3-6-17(20)16(8-12)18-7-4-14(25)10-22-18/h2-8,10,25H,9H2,1H3,(H,24,26).
What are the key properties of N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide?
N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide has a molecular weight of 371.80 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 70797616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).