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

C16H16ClN3O2 — CID 124566233

IUPAC5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C16H16ClN3O2/c17-12-3-6-14(19-9-12)16(21)20-13-4-1-11(2-5-13)15-10-18-7-8-22-15/h1-6,9,15,18H,7-8,10H2,(H,20,21)/t15-/m1/s1
InChIKeyASRMZZJJYSITLY-OAHLLOKOSA-N
MW317.78 g/mol
LogP2.65
Rot. Bonds3

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

5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 124566233) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide
PubChem CID124566233
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C16H16ClN3O2/c17-12-3-6-14(19-9-12)16(21)20-13-4-1-11(2-5-13)15-10-18-7-8-22-15/h1-6,9,15,18H,7-8,10H2,(H,20,21)/t15-/m1/s1
InChIKeyASRMZZJJYSITLY-OAHLLOKOSA-N
XLogP2.65
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{3-[(3r)-5-Amino-3-Methyl-3,6-Dihydro-2h-1,4-Oxazin-3-Yl]phenyl}-5-Chloropyridine-2-Carboxamide
CID 50991585
4-[(5-Chloro-2-pyridinyl)methoxy]-1-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]pyridin-2-one
CID 44193451
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-chloropyridine-2-carboxamide
CID 50914101
N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 50991508
N-[3-[(2R,3R)-5-amino-2-(difluoromethyl)-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 90656193
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2429771
N-[2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide
CID 71560069
N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide
CID 71560071
N-[3-[(3R)-5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 90656188
[2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2624513
Butyl 4-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate
CID 3698876
N-[3-[(5S,7S)-3-amino-5-methyl-7-phenyl-6,7-dihydro-2H-1,4-oxazepin-5-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 54578013

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide (CID 124566233) is 5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is ASRMZZJJYSITLY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-12-3-6-14(19-9-12)16(21)20-13-4-1-11(2-5-13)15-10-18-7-8-22-15/h1-6,9,15,18H,7-8,10H2,(H,20,21)/t15-/m1/s1.
What are the key properties of 5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide?
5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 124566233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).