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

C17H18ClN3O2 — CID 58315714

IUPAC6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C17H18ClN3O2/c18-16-6-5-14(10-20-16)17(22)21-9-12-1-3-13(4-2-12)15-11-19-7-8-23-15/h1-6,10,15,19H,7-9,11H2,(H,21,22)/t15-/m0/s1
InChIKeySXFVPSRPNRHHPX-HNNXBMFYSA-N
MW331.80 g/mol
LogP2.33
Rot. Bonds4

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

6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 58315714) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide
PubChem CID58315714
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C17H18ClN3O2/c18-16-6-5-14(10-20-16)17(22)21-9-12-1-3-13(4-2-12)15-11-19-7-8-23-15/h1-6,10,15,19H,7-9,11H2,(H,21,22)/t15-/m0/s1
InChIKeySXFVPSRPNRHHPX-HNNXBMFYSA-N
XLogP2.33
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.33
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

1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone
CID 58315544
N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315627
N-[(4-morpholin-2-ylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67240344
6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 71498835
6-chloro-N-[4-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide
CID 76758483
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
N-(2,6-dichlorophenyl)-4-[(2S)-morpholin-2-yl]benzamide
CID 129387149
6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55845607
2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone
CID 58315539
6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 46456887
1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 158287543
N-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide
CID 145006175

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide (CID 58315714) is 6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is SXFVPSRPNRHHPX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-16-6-5-14(10-20-16)17(22)21-9-12-1-3-13(4-2-12)15-11-19-7-8-23-15/h1-6,10,15,19H,7-9,11H2,(H,21,22)/t15-/m0/s1.
What are the key properties of 6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide?
6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58315714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).