N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide

C22H17ClN4O3 — CID 162746899

IUPACN-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
SMILESCC(=O)N(c1ccc2ncoc2c1)c1cc(NC(=O)Cc2ccccc2Cl)ccn1
InChIInChI=1S/C22H17ClN4O3/c1-14(28)27(17-6-7-19-20(12-17)30-13-25-19)21-11-16(8-9-24-21)26-22(29)10-15-4-2-3-5-18(15)23/h2-9,11-13H,10H2,1H3,(H,24,26,29)
InChIKeyLIJXMJNEANVKAD-UHFFFAOYSA-N
MW420.86 g/mol
LogP4.74
Rot. Bonds5

About N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide

N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide (PubChem CID 162746899) has the molecular formula C22H17ClN4O3 and a molecular weight of 420.86 g/mol. Its IUPAC name is N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
PubChem CID162746899
Molecular FormulaC22H17ClN4O3
Molecular Weight420.86 g/mol
Exact Mass420.10
IUPAC NameN-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
SMILESCC(=O)N(c1ccc2ncoc2c1)c1cc(NC(=O)Cc2ccccc2Cl)ccn1
InChIInChI=1S/C22H17ClN4O3/c1-14(28)27(17-6-7-19-20(12-17)30-13-25-19)21-11-16(8-9-24-21)26-22(29)10-15-4-2-3-5-18(15)23/h2-9,11-13H,10H2,1H3,(H,24,26,29)
InChIKeyLIJXMJNEANVKAD-UHFFFAOYSA-N
XLogP4.74
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.86
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 162746618
N-[2-(N-acetyl-3-fluoroanilino)-4-pyridinyl]-2-(2-chloro-4-fluorophenyl)acetamide;N-[2-(N-acetyl-3-fluoroanilino)-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 175417454
N-[2-[acetyl-(2-methylpyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 162746856
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746745
N-[2-[acetyl(pyridin-4-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746510
N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746556
N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746490
N-[2-(N-acetyl-4-fluoroanilino)-4-pyridinyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 162428244
N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide
CID 162428331
2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 110771869
N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide
CID 162746509
N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162428425

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide (CID 162746899) is N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide is CC(=O)N(c1ccc2ncoc2c1)c1cc(NC(=O)Cc2ccccc2Cl)ccn1.
What is the InChIKey of N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide?
The InChIKey is LIJXMJNEANVKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3/c1-14(28)27(17-6-7-19-20(12-17)30-13-25-19)21-11-16(8-9-24-21)26-22(29)10-15-4-2-3-5-18(15)23/h2-9,11-13H,10H2,1H3,(H,24,26,29).
What are the key properties of N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide?
N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide has a molecular weight of 420.86 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 162746899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).