N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide

C22H28N4O2 — CID 162764866

IUPACN-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1cc(-c2cc(NC(=O)N3CCCC3)ccc2C)cc(N2CCOCC2)n1
InChIInChI=1S/C22H28N4O2/c1-16-5-6-19(24-22(27)26-7-3-4-8-26)15-20(16)18-13-17(2)23-21(14-18)25-9-11-28-12-10-25/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,24,27)
InChIKeyWJFBJGCEPKLZAQ-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.83
Rot. Bonds3

About N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide

N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 162764866) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID162764866
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1cc(-c2cc(NC(=O)N3CCCC3)ccc2C)cc(N2CCOCC2)n1
InChIInChI=1S/C22H28N4O2/c1-16-5-6-19(24-22(27)26-7-3-4-8-26)15-20(16)18-13-17(2)23-21(14-18)25-9-11-28-12-10-25/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,24,27)
InChIKeyWJFBJGCEPKLZAQ-UHFFFAOYSA-N
XLogP3.83
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide (CID 162764866) is N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide is Cc1cc(-c2cc(NC(=O)N3CCCC3)ccc2C)cc(N2CCOCC2)n1.
What is the InChIKey of N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is WJFBJGCEPKLZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-5-6-19(24-22(27)26-7-3-4-8-26)15-20(16)18-13-17(2)23-21(14-18)25-9-11-28-12-10-25/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,24,27).
What are the key properties of N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide?
N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 162764866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).