2-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide

C18H17FN4O3 — CID 71086690

IUPAC2-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cc(C#N)n1
InChIInChI=1S/C18H17FN4O3/c1-25-17-8-12(6-13(9-20)22-17)18(24)23-15-3-2-11(7-14(15)19)16-10-21-4-5-26-16/h2-3,6-8,16,21H,4-5,10H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyGAWBOVGPOLKVAZ-MRXNPFEDSA-N
MW356.36 g/mol
LogP2.01
Rot. Bonds4

About 2-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide

2-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide (PubChem CID 71086690) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide
PubChem CID71086690
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name2-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cc(C#N)n1
InChIInChI=1S/C18H17FN4O3/c1-25-17-8-12(6-13(9-20)22-17)18(24)23-15-3-2-11(7-14(15)19)16-10-21-4-5-26-16/h2-3,6-8,16,21H,4-5,10H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyGAWBOVGPOLKVAZ-MRXNPFEDSA-N
XLogP2.01
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide (CID 71086690) is 2-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide is COc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cc(C#N)n1.
What is the InChIKey of 2-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide?
The InChIKey is GAWBOVGPOLKVAZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-25-17-8-12(6-13(9-20)22-17)18(24)23-15-3-2-11(7-14(15)19)16-10-21-4-5-26-16/h2-3,6-8,16,21H,4-5,10H2,1H3,(H,23,24)/t16-/m1/s1.
What are the key properties of 2-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide?
2-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide is sourced from PubChem (CID 71086690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).