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

C17H18ClN3O2 — CID 87321229

IUPAC2-chloro-6-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc(Cl)n1
InChIInChI=1S/C17H18ClN3O2/c1-11-8-13(9-16(18)20-11)17(22)21-14-4-2-12(3-5-14)15-10-19-6-7-23-15/h2-5,8-9,15,19H,6-7,10H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyUJWNXKANZXVFHO-OAHLLOKOSA-N
MW331.80 g/mol
LogP2.96
Rot. Bonds3

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

2-chloro-6-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide (PubChem CID 87321229) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide
PubChem CID87321229
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name2-chloro-6-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc(Cl)n1
InChIInChI=1S/C17H18ClN3O2/c1-11-8-13(9-16(18)20-11)17(22)21-14-4-2-12(3-5-14)15-10-19-6-7-23-15/h2-5,8-9,15,19H,6-7,10H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyUJWNXKANZXVFHO-OAHLLOKOSA-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 2-chloro-6-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide (CID 87321229) is 2-chloro-6-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is UJWNXKANZXVFHO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11-8-13(9-16(18)20-11)17(22)21-14-4-2-12(3-5-14)15-10-19-6-7-23-15/h2-5,8-9,15,19H,6-7,10H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of 2-chloro-6-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide?
2-chloro-6-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-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 2-chloro-6-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 87321229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).