6-cyano-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide

C17H16N4O2 — CID 67240538

IUPAC6-cyano-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cn1
InChIInChI=1S/C17H16N4O2/c18-9-15-6-3-13(10-20-15)17(22)21-14-4-1-12(2-5-14)16-11-19-7-8-23-16/h1-6,10,16,19H,7-8,11H2,(H,21,22)/t16-/m1/s1
InChIKeyMQFBCPOULYPWAQ-MRXNPFEDSA-N
MW308.34 g/mol
LogP1.87
Rot. Bonds3

About 6-cyano-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide

6-cyano-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 67240538) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-cyano-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
PubChem CID67240538
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name6-cyano-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cn1
InChIInChI=1S/C17H16N4O2/c18-9-15-6-3-13(10-20-15)17(22)21-14-4-1-12(2-5-14)16-11-19-7-8-23-16/h1-6,10,16,19H,7-8,11H2,(H,21,22)/t16-/m1/s1
InChIKeyMQFBCPOULYPWAQ-MRXNPFEDSA-N
XLogP1.87
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-cyano-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide (CID 67240538) is 6-cyano-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyano-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide is N#Cc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cn1.
What is the InChIKey of 6-cyano-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is MQFBCPOULYPWAQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-9-15-6-3-13(10-20-15)17(22)21-14-4-1-12(2-5-14)16-11-19-7-8-23-16/h1-6,10,16,19H,7-8,11H2,(H,21,22)/t16-/m1/s1.
What are the key properties of 6-cyano-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
6-cyano-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 67240538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).