N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-5-cyanopyridine-2-carboxamide

C17H15ClN4O2 — CID 71086936

IUPACN-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)nc1
InChIInChI=1S/C17H15ClN4O2/c18-13-7-12(16-10-20-5-6-24-16)2-4-14(13)22-17(23)15-3-1-11(8-19)9-21-15/h1-4,7,9,16,20H,5-6,10H2,(H,22,23)/t16-/m1/s1
InChIKeyHVBYNUFTJGTBPR-MRXNPFEDSA-N
MW342.79 g/mol
LogP2.52
Rot. Bonds3

About N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-5-cyanopyridine-2-carboxamide

N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-5-cyanopyridine-2-carboxamide (PubChem CID 71086936) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-5-cyanopyridine-2-carboxamide
PubChem CID71086936
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)nc1
InChIInChI=1S/C17H15ClN4O2/c18-13-7-12(16-10-20-5-6-24-16)2-4-14(13)22-17(23)15-3-1-11(8-19)9-21-15/h1-4,7,9,16,20H,5-6,10H2,(H,22,23)/t16-/m1/s1
InChIKeyHVBYNUFTJGTBPR-MRXNPFEDSA-N
XLogP2.52
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-5-cyanopyridine-2-carboxamide (CID 71086936) is N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-5-cyanopyridine-2-carboxamide is N#Cc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)nc1.
What is the InChIKey of N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-5-cyanopyridine-2-carboxamide?
The InChIKey is HVBYNUFTJGTBPR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-13-7-12(16-10-20-5-6-24-16)2-4-14(13)22-17(23)15-3-1-11(8-19)9-21-15/h1-4,7,9,16,20H,5-6,10H2,(H,22,23)/t16-/m1/s1.
What are the key properties of N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-5-cyanopyridine-2-carboxamide?
N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-5-cyanopyridine-2-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 71086936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).