N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide

C18H20ClN3O2 — CID 75424625

IUPACN-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide
SMILESCN(C(=O)C1CCCOC1)C(c1ccc(Cl)cc1)c1cnccn1
InChIInChI=1S/C18H20ClN3O2/c1-22(18(23)14-3-2-10-24-12-14)17(16-11-20-8-9-21-16)13-4-6-15(19)7-5-13/h4-9,11,14,17H,2-3,10,12H2,1H3
InChIKeyADKYOPNYEDZTOJ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.10
Rot. Bonds4

About N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide

N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide (PubChem CID 75424625) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide
PubChem CID75424625
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide
SMILESCN(C(=O)C1CCCOC1)C(c1ccc(Cl)cc1)c1cnccn1
InChIInChI=1S/C18H20ClN3O2/c1-22(18(23)14-3-2-10-24-12-14)17(16-11-20-8-9-21-16)13-4-6-15(19)7-5-13/h4-9,11,14,17H,2-3,10,12H2,1H3
InChIKeyADKYOPNYEDZTOJ-UHFFFAOYSA-N
XLogP3.10
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpropanamide
CID 146086024
N-[(S)-(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpent-4-enamide
CID 97222002
(1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 100900534
1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride
CID 120850111
(3-chloro-4-pyridinyl)-(oxan-3-yl)methanone
CID 107138539
(3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide
CID 124841562
N-[(4-fluorophenyl)-pyrazin-2-ylmethyl]-N-methylprop-2-enamide
CID 165351494
N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide
CID 110852657
N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide
CID 109388602
1-(oxan-3-yl)-2-pyridin-4-ylpropan-1-one
CID 66471046
(2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120637228
(3S)-N-ethyl-N-[(R)-(4-methoxyphenyl)-pyridin-3-ylmethyl]oxolane-3-carboxamide
CID 97213070

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide (CID 75424625) is N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide is CN(C(=O)C1CCCOC1)C(c1ccc(Cl)cc1)c1cnccn1.
What is the InChIKey of N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide?
The InChIKey is ADKYOPNYEDZTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-22(18(23)14-3-2-10-24-12-14)17(16-11-20-8-9-21-16)13-4-6-15(19)7-5-13/h4-9,11,14,17H,2-3,10,12H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide?
N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide is sourced from PubChem (CID 75424625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).