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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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).