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

C16H15Cl2N3O2 — CID 71498835

IUPAC6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1Cl)c1ccc(Cl)nc1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-7-10(14-9-19-5-6-23-14)1-3-13(12)21-16(22)11-2-4-15(18)20-8-11/h1-4,7-8,14,19H,5-6,9H2,(H,21,22)/t14-/m1/s1
InChIKeyPHRRPQIIQQIXRI-CQSZACIVSA-N
MW352.22 g/mol
LogP3.30
Rot. Bonds3

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

6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 71498835) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
PubChem CID71498835
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1Cl)c1ccc(Cl)nc1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-7-10(14-9-19-5-6-23-14)1-3-13(12)21-16(22)11-2-4-15(18)20-8-11/h1-4,7-8,14,19H,5-6,9H2,(H,21,22)/t14-/m1/s1
InChIKeyPHRRPQIIQQIXRI-CQSZACIVSA-N
XLogP3.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.30
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

6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide
CID 58315714
4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride
CID 71087228
1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone
CID 58315544
N-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride
CID 71086990
1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 71086894
N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71086815
N-(2,6-dichlorophenyl)-4-[(2S)-morpholin-2-yl]benzamide
CID 129387149
6-chloro-N-[4-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide
CID 76758483
1-(2-chloro-4-morpholin-2-ylphenyl)-3-(5-cyano-2-methoxyphenyl)urea
CID 71086858
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
N-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride
CID 71086852
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide (CID 71498835) is 6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1Cl)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is PHRRPQIIQQIXRI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c17-12-7-10(14-9-19-5-6-23-14)1-3-13(12)21-16(22)11-2-4-15(18)20-8-11/h1-4,7-8,14,19H,5-6,9H2,(H,21,22)/t14-/m1/s1.
What are the key properties of 6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 352.22 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 71498835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).