N-methyl-4-[4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide

C22H24N6O2 — CID 164611034

IUPACN-methyl-4-[4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(Nc3nccc(N4CCCCC4)n3)cc2)ccn1
InChIInChI=1S/C22H24N6O2/c1-23-21(29)19-15-18(9-11-24-19)30-17-7-5-16(6-8-17)26-22-25-12-10-20(27-22)28-13-3-2-4-14-28/h5-12,15H,2-4,13-14H2,1H3,(H,23,29)(H,25,26,27)
InChIKeyZIWQBCKDJZBDIR-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.76
Rot. Bonds6

About N-methyl-4-[4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide

N-methyl-4-[4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide (PubChem CID 164611034) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-methyl-4-[4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide
PubChem CID164611034
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-methyl-4-[4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(Nc3nccc(N4CCCCC4)n3)cc2)ccn1
InChIInChI=1S/C22H24N6O2/c1-23-21(29)19-15-18(9-11-24-19)30-17-7-5-16(6-8-17)26-22-25-12-10-20(27-22)28-13-3-2-4-14-28/h5-12,15H,2-4,13-14H2,1H3,(H,23,29)(H,25,26,27)
InChIKeyZIWQBCKDJZBDIR-UHFFFAOYSA-N
XLogP3.76
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide (CID 164611034) is N-methyl-4-[4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(Nc3nccc(N4CCCCC4)n3)cc2)ccn1.
What is the InChIKey of N-methyl-4-[4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide?
The InChIKey is ZIWQBCKDJZBDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-23-21(29)19-15-18(9-11-24-19)30-17-7-5-16(6-8-17)26-22-25-12-10-20(27-22)28-13-3-2-4-14-28/h5-12,15H,2-4,13-14H2,1H3,(H,23,29)(H,25,26,27).
What are the key properties of N-methyl-4-[4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 164611034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).