2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide

C24H20ClN5O2 — CID 177190662

IUPAC2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C24H20ClN5O2/c1-16-4-7-19(28-23(31)15-32-20-8-5-18(25)6-9-20)13-22(16)30-24-27-12-10-21(29-24)17-3-2-11-26-14-17/h2-14H,15H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyHNKROTLIBSYEKO-UHFFFAOYSA-N
MW445.91 g/mol
LogP5.26
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide

2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 177190662) has the molecular formula C24H20ClN5O2 and a molecular weight of 445.91 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID177190662
Molecular FormulaC24H20ClN5O2
Molecular Weight445.91 g/mol
Exact Mass445.13
IUPAC Name2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C24H20ClN5O2/c1-16-4-7-19(28-23(31)15-32-20-8-5-18(25)6-9-20)13-22(16)30-24-27-12-10-21(29-24)17-3-2-11-26-14-17/h2-14H,15H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyHNKROTLIBSYEKO-UHFFFAOYSA-N
XLogP5.26
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.91
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-3-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]urea
CID 135393863
2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 177190714
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]butanamide
CID 20772083
N-(4-chlorophenyl)-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11281472
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(2-nitrophenoxy)acetamide
CID 177190735
1-(4-chlorophenyl)-5-methyl-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]pyrazole-4-carboxamide
CID 59198024
(E)-3-(4-ethoxyphenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide
CID 71301663
4-chlorobenzoyl chloride;4-chloro-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;methane;4-methyl-3-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 159152578
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 10298544
4-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 177190731
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 71302224
(E)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 71301684

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide (CID 177190662) is 2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide is Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is HNKROTLIBSYEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2/c1-16-4-7-19(28-23(31)15-32-20-8-5-18(25)6-9-20)13-22(16)30-24-27-12-10-21(29-24)17-3-2-11-26-14-17/h2-14H,15H2,1H3,(H,28,31)(H,27,29,30).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 445.91 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 177190662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).