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

C17H18ClN3O2 — CID 71498836

IUPAC6-chloro-N-[2-methyl-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
SMILESCc1cc([C@@H]2CNCCO2)ccc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C17H18ClN3O2/c1-11-8-12(15-10-19-6-7-23-15)2-4-14(11)21-17(22)13-3-5-16(18)20-9-13/h2-5,8-9,15,19H,6-7,10H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyUVVOHMATOPJZSR-HNNXBMFYSA-N
MW331.80 g/mol
LogP2.96
Rot. Bonds3

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

6-chloro-N-[2-methyl-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 71498836) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 6-chloro-N-[2-methyl-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-methyl-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
PubChem CID71498836
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name6-chloro-N-[2-methyl-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
SMILESCc1cc([C@@H]2CNCCO2)ccc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C17H18ClN3O2/c1-11-8-12(15-10-19-6-7-23-15)2-4-14(11)21-17(22)13-3-5-16(18)20-9-13/h2-5,8-9,15,19H,6-7,10H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyUVVOHMATOPJZSR-HNNXBMFYSA-N
XLogP2.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.96
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-[2-methyl-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-methyl-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide (CID 71498836) is 6-chloro-N-[2-methyl-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-methyl-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-methyl-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide is Cc1cc([C@@H]2CNCCO2)ccc1NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-methyl-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is UVVOHMATOPJZSR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11-8-12(15-10-19-6-7-23-15)2-4-14(11)21-17(22)13-3-5-16(18)20-9-13/h2-5,8-9,15,19H,6-7,10H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 6-chloro-N-[2-methyl-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
6-chloro-N-[2-methyl-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 2.96, 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-methyl-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 71498836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).