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

C16H16ClN3O2 — CID 56836054

IUPAC6-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C16H16ClN3O2/c17-15-6-3-12(9-19-15)16(21)20-13-4-1-11(2-5-13)14-10-18-7-8-22-14/h1-6,9,14,18H,7-8,10H2,(H,20,21)/t14-/m1/s1
InChIKeyQZQLOJFUTYSQRK-CQSZACIVSA-N
MW317.78 g/mol
LogP2.65
Rot. Bonds3

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

6-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 56836054) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 6-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
PubChem CID56836054
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name6-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C16H16ClN3O2/c17-15-6-3-12(9-19-15)16(21)20-13-4-1-11(2-5-13)14-10-18-7-8-22-14/h1-6,9,14,18H,7-8,10H2,(H,20,21)/t14-/m1/s1
InChIKeyQZQLOJFUTYSQRK-CQSZACIVSA-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

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-(pyridine-3-carbonylamino)benzoate
CID 279888
[(4-Cyanophenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 2428126
[(4-Phenylbutan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 4142818
[2-Oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 6-chloropyridine-3-carboxylate
CID 4783367
Nicotinic acid (3-chloro-phenylcarbamoyl)-methyl ester
CID 653526
N-[({2-[(4-chlorobenzyl)oxy]ethyl}amino)carbonothioyl]nicotinamide
CID 2277046
[2-Oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-chloropyridine-3-carboxylate
CID 2365011
{[4-(Morpholin-4-yl)phenyl]carbamoyl}methyl 6-chloropyridine-3-carboxylate
CID 2417505
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2430446
[2-(Naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2592145
3-[({2-[(4-Chlorobenzoyl)oxy]ethyl}amino)carbonyl]pyridinium chloride
CID 2830244
[(2,3-Dimethylcyclohexyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate
CID 3973740

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide (CID 56836054) is 6-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is QZQLOJFUTYSQRK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-15-6-3-12(9-19-15)16(21)20-13-4-1-11(2-5-13)14-10-18-7-8-22-14/h1-6,9,14,18H,7-8,10H2,(H,20,21)/t14-/m1/s1.
What are the key properties of 6-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
6-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-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 6-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 56836054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).