N-methyl-4-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide

C21H22N6O3 — CID 164618873

IUPACN-methyl-4-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(Nc3nccc(N4CCOCC4)n3)cc2)ccn1
InChIInChI=1S/C21H22N6O3/c1-22-20(28)18-14-17(6-8-23-18)30-16-4-2-15(3-5-16)25-21-24-9-7-19(26-21)27-10-12-29-13-11-27/h2-9,14H,10-13H2,1H3,(H,22,28)(H,24,25,26)
InChIKeyNMRCEIQKLCEATM-UHFFFAOYSA-N
MW406.45 g/mol
LogP2.60
Rot. Bonds6

About N-methyl-4-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide

N-methyl-4-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide (PubChem CID 164618873) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-methyl-4-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide
PubChem CID164618873
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC NameN-methyl-4-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(Nc3nccc(N4CCOCC4)n3)cc2)ccn1
InChIInChI=1S/C21H22N6O3/c1-22-20(28)18-14-17(6-8-23-18)30-16-4-2-15(3-5-16)25-21-24-9-7-19(26-21)27-10-12-29-13-11-27/h2-9,14H,10-13H2,1H3,(H,22,28)(H,24,25,26)
InChIKeyNMRCEIQKLCEATM-UHFFFAOYSA-N
XLogP2.60
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-methyl-4-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide (CID 164618873) is N-methyl-4-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(Nc3nccc(N4CCOCC4)n3)cc2)ccn1.
What is the InChIKey of N-methyl-4-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide?
The InChIKey is NMRCEIQKLCEATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-22-20(28)18-14-17(6-8-23-18)30-16-4-2-15(3-5-16)25-21-24-9-7-19(26-21)27-10-12-29-13-11-27/h2-9,14H,10-13H2,1H3,(H,22,28)(H,24,25,26).
What are the key properties of N-methyl-4-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 164618873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).