N-[(4-chlorophenyl)methyl]-3-methyl-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide

C25H22ClN3O2 — CID 171635398

IUPACN-[(4-chlorophenyl)methyl]-3-methyl-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide
SMILESCc1cc(Oc2ccnc(-c3ccn(C)c3)c2)cc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C25H22ClN3O2/c1-17-11-20(25(30)28-15-18-3-5-21(26)6-4-18)13-23(12-17)31-22-7-9-27-24(14-22)19-8-10-29(2)16-19/h3-14,16H,15H2,1-2H3,(H,28,30)
InChIKeyQQFXPIKWXPJNAB-UHFFFAOYSA-N
MW431.92 g/mol
LogP5.77
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-3-methyl-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide

N-[(4-chlorophenyl)methyl]-3-methyl-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide (PubChem CID 171635398) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-methyl-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-methyl-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide
PubChem CID171635398
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC NameN-[(4-chlorophenyl)methyl]-3-methyl-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide
SMILESCc1cc(Oc2ccnc(-c3ccn(C)c3)c2)cc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C25H22ClN3O2/c1-17-11-20(25(30)28-15-18-3-5-21(26)6-4-18)13-23(12-17)31-22-7-9-27-24(14-22)19-8-10-29(2)16-19/h3-14,16H,15H2,1-2H3,(H,28,30)
InChIKeyQQFXPIKWXPJNAB-UHFFFAOYSA-N
XLogP5.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
CID 171635920
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
N-[(4-chlorophenyl)methyl]-4-(4-methylpyrimidin-2-yl)oxybenzamide
CID 56724091
N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119795
N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386454
[4-[[[2-[4-(4-fluorophenoxy)phenyl]pyridine-4-carbonyl]amino]methyl]phenyl]-trimethylazanium
CID 71566411
N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021388
N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 23795774
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide
CID 16866727
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-methyl-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-methyl-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide (CID 171635398) is N-[(4-chlorophenyl)methyl]-3-methyl-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-methyl-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-methyl-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide is Cc1cc(Oc2ccnc(-c3ccn(C)c3)c2)cc(C(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-methyl-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide?
The InChIKey is QQFXPIKWXPJNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-17-11-20(25(30)28-15-18-3-5-21(26)6-4-18)13-23(12-17)31-22-7-9-27-24(14-22)19-8-10-29(2)16-19/h3-14,16H,15H2,1-2H3,(H,28,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-methyl-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide?
N-[(4-chlorophenyl)methyl]-3-methyl-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide has a molecular weight of 431.92 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-methyl-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide is sourced from PubChem (CID 171635398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).