2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide

C16H24ClN3O2 — CID 42940170

IUPAC2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)c2ccnc(Cl)c2)CC(C)O1
InChIInChI=1S/C16H24ClN3O2/c1-11-8-20(9-12(2)22-11)16(3,4)10-19-15(21)13-5-6-18-14(17)7-13/h5-7,11-12H,8-10H2,1-4H3,(H,19,21)
InChIKeyIPJFMQVMWYFTJW-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.35
Rot. Bonds4

About 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide

2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide (PubChem CID 42940170) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
PubChem CID42940170
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)c2ccnc(Cl)c2)CC(C)O1
InChIInChI=1S/C16H24ClN3O2/c1-11-8-20(9-12(2)22-11)16(3,4)10-19-15(21)13-5-6-18-14(17)7-13/h5-7,11-12H,8-10H2,1-4H3,(H,19,21)
InChIKeyIPJFMQVMWYFTJW-UHFFFAOYSA-N
XLogP2.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.35
H-Bond Donors ≤ 51
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-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide (CID 42940170) is 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide is CC1CN(C(C)(C)CNC(=O)c2ccnc(Cl)c2)CC(C)O1.
What is the InChIKey of 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide?
The InChIKey is IPJFMQVMWYFTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-11-8-20(9-12(2)22-11)16(3,4)10-19-15(21)13-5-6-18-14(17)7-13/h5-7,11-12H,8-10H2,1-4H3,(H,19,21).
What are the key properties of 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide?
2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide has a molecular weight of 325.84 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide is sourced from PubChem (CID 42940170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).