N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide

C19H20Cl2N2O2 — CID 168853730

IUPACN-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c20-17-4-3-16(18(21)10-17)13-23(12-14-2-1-7-22-11-14)19(24)15-5-8-25-9-6-15/h1-4,7,10-11,15H,5-6,8-9,12-13H2
InChIKeyKMMPSFFVMZKOEL-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.34
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide

N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide (PubChem CID 168853730) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide
PubChem CID168853730
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c20-17-4-3-16(18(21)10-17)13-23(12-14-2-1-7-22-11-14)19(24)15-5-8-25-9-6-15/h1-4,7,10-11,15H,5-6,8-9,12-13H2
InChIKeyKMMPSFFVMZKOEL-UHFFFAOYSA-N
XLogP4.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 168853651
N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 168853808
2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 168853809
N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide
CID 168853794
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 43813641
(3R)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 95046458
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 3216942
N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853797
(3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 95220390
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 1459926
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 42819048
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 42819044

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide (CID 168853730) is N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide is O=C(C1CCOCC1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide?
The InChIKey is KMMPSFFVMZKOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c20-17-4-3-16(18(21)10-17)13-23(12-14-2-1-7-22-11-14)19(24)15-5-8-25-9-6-15/h1-4,7,10-11,15H,5-6,8-9,12-13H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide has a molecular weight of 379.29 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 168853730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).