6-chloro-4-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2,4-dicarboxamide

C17H16ClFN4O3 — CID 89262065

IUPAC6-chloro-4-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2,4-dicarboxamide
SMILESNC(=O)c1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cc(Cl)n1
InChIInChI=1S/C17H16ClFN4O3/c18-15-6-9(5-13(23-15)16(20)24)17(25)22-10-1-2-11(12(19)7-10)14-8-21-3-4-26-14/h1-2,5-7,14,21H,3-4,8H2,(H2,20,24)(H,22,25)/t14-/m1/s1
InChIKeyYYAOHSXHVINJNK-CQSZACIVSA-N
MW378.79 g/mol
LogP1.89
Rot. Bonds4

About 6-chloro-4-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2,4-dicarboxamide

6-chloro-4-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2,4-dicarboxamide (PubChem CID 89262065) has the molecular formula C17H16ClFN4O3 and a molecular weight of 378.79 g/mol. Its IUPAC name is 6-chloro-4-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name6-chloro-4-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2,4-dicarboxamide
PubChem CID89262065
Molecular FormulaC17H16ClFN4O3
Molecular Weight378.79 g/mol
Exact Mass378.09
IUPAC Name6-chloro-4-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2,4-dicarboxamide
SMILESNC(=O)c1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cc(Cl)n1
InChIInChI=1S/C17H16ClFN4O3/c18-15-6-9(5-13(23-15)16(20)24)17(25)22-10-1-2-11(12(19)7-10)14-8-21-3-4-26-14/h1-2,5-7,14,21H,3-4,8H2,(H2,20,24)(H,22,25)/t14-/m1/s1
InChIKeyYYAOHSXHVINJNK-CQSZACIVSA-N
XLogP1.89
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.79
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 6-chloro-4-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2,4-dicarboxamide (CID 89262065) is 6-chloro-4-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 6-chloro-4-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 6-chloro-4-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2,4-dicarboxamide is NC(=O)c1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cc(Cl)n1.
What is the InChIKey of 6-chloro-4-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2,4-dicarboxamide?
The InChIKey is YYAOHSXHVINJNK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16ClFN4O3/c18-15-6-9(5-13(23-15)16(20)24)17(25)22-10-1-2-11(12(19)7-10)14-8-21-3-4-26-14/h1-2,5-7,14,21H,3-4,8H2,(H2,20,24)(H,22,25)/t14-/m1/s1.
What are the key properties of 6-chloro-4-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2,4-dicarboxamide?
6-chloro-4-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2,4-dicarboxamide has a molecular weight of 378.79 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 89262065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).