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

C17H18ClN3O2 — CID 76758483

IUPAC6-chloro-N-[4-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide
SMILESCC1CNCC(c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)O1
InChIInChI=1S/C17H18ClN3O2/c1-11-8-19-10-15(23-11)12-2-5-14(6-3-12)21-17(22)13-4-7-16(18)20-9-13/h2-7,9,11,15,19H,8,10H2,1H3,(H,21,22)
InChIKeyHGVSDFUEWUFYSN-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.04
Rot. Bonds3

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

6-chloro-N-[4-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 76758483) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 6-chloro-N-[4-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID76758483
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name6-chloro-N-[4-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide
SMILESCC1CNCC(c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)O1
InChIInChI=1S/C17H18ClN3O2/c1-11-8-19-10-15(23-11)12-2-5-14(6-3-12)21-17(22)13-4-7-16(18)20-9-13/h2-7,9,11,15,19H,8,10H2,1H3,(H,21,22)
InChIKeyHGVSDFUEWUFYSN-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
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-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide (CID 76758483) is 6-chloro-N-[4-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide is CC1CNCC(c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)O1.
What is the InChIKey of 6-chloro-N-[4-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is HGVSDFUEWUFYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11-8-19-10-15(23-11)12-2-5-14(6-3-12)21-17(22)13-4-7-16(18)20-9-13/h2-7,9,11,15,19H,8,10H2,1H3,(H,21,22).
What are the key properties of 6-chloro-N-[4-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide?
6-chloro-N-[4-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 76758483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).