N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C28H22Cl2N4O3 — CID 155965271

IUPACN-[(3,4-dichlorophenyl)methyl]-6-(2-methoxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c2c(C)noc2n1
InChIInChI=1S/C28H22Cl2N4O3/c1-17-26-21(14-24(32-27(26)37-33-17)20-8-3-4-9-25(20)36-2)28(35)34(16-19-7-5-6-12-31-19)15-18-10-11-22(29)23(30)13-18/h3-14H,15-16H2,1-2H3
InChIKeyBPMOVFZSIOSMEC-UHFFFAOYSA-N
MW533.42 g/mol
LogP6.75
Rot. Bonds7

About N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 155965271) has the molecular formula C28H22Cl2N4O3 and a molecular weight of 533.42 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-6-(2-methoxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID155965271
Molecular FormulaC28H22Cl2N4O3
Molecular Weight533.42 g/mol
Exact Mass532.11
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-6-(2-methoxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c2c(C)noc2n1
InChIInChI=1S/C28H22Cl2N4O3/c1-17-26-21(14-24(32-27(26)37-33-17)20-8-3-4-9-25(20)36-2)28(35)34(16-19-7-5-6-12-31-19)15-18-10-11-22(29)23(30)13-18/h3-14H,15-16H2,1-2H3
InChIKeyBPMOVFZSIOSMEC-UHFFFAOYSA-N
XLogP6.75
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.42
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30125830
3,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 171672352
N,6-dicyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47018188
N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 154862277
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830850
N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 34845376
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 42165859
N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide
CID 60610103
N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide
CID 42273986
3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 131912029
N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 60608120
3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 42695992

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 155965271) is N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1ccccc1-c1cc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c2c(C)noc2n1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BPMOVFZSIOSMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2N4O3/c1-17-26-21(14-24(32-27(26)37-33-17)20-8-3-4-9-25(20)36-2)28(35)34(16-19-7-5-6-12-31-19)15-18-10-11-22(29)23(30)13-18/h3-14H,15-16H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 533.42 g/mol, XLogP of 6.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 155965271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).